data_2n13_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 2n13 _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 ' 13' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.722 0.296 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -78.82 92.92 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.545 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 mt -91.2 37.76 0.95 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.569 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.7 t -79.72 -32.59 41.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.601 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 pttm -81.37 1.16 34.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.63 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -81.96 176.62 9.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.536 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -122.77 168.01 12.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.441 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.645 ' HH ' ' N ' ' B' ' 176' ' ' GLY . 32.4 t80 -62.34 -46.95 86.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.759 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.81 -46.71 89.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.758 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -57.66 -57.17 13.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.662 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.3 mt -52.15 -60.71 2.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.499 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.669 ' NH1' HD22 ' A' ' 28' ' ' ASN . 14.8 tpt85 -52.8 -53.35 49.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.065 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' A' ' 29' ' ' THR . 5.6 t70 -51.05 -51.93 48.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.976 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.554 ' O ' ' N ' ' A' ' 30' ' ' SER . 29.7 m -48.33 -50.49 30.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.49 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.452 HD11 HG23 ' A' ' 27' ' ' ILE . 84.7 mt -69.02 -21.1 25.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.628 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.669 HD22 ' NH1' ' A' ' 24' ' ' ARG . 1.1 m-80 -104.79 3.49 31.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.433 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.541 ' N ' ' O ' ' A' ' 25' ' ' ASP . 36.8 p -145.49 -2.58 0.76 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.362 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.554 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.2 t -118.26 163.62 16.4 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.07 0.462 . . . . 0.0 111.042 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.408 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 19.9 p -139.06 88.47 2.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.29 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -159.71 97.98 1.34 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.497 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.2 mt -39.56 -38.57 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.761 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -60.62 -59.05 6.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.352 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.7 mt -59.87 -47.19 86.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.14 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.9 mt -50.55 -43.4 56.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.424 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.45 -49.16 67.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.279 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.35 -44.9 92.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.381 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.495 ' O ' ' OE2' ' A' ' 42' ' ' GLU . 97.8 m -63.02 -44.57 95.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.23 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -65.85 -27.08 67.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.43 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -70.99 -61.4 1.77 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.495 ' OE2' ' O ' ' A' ' 39' ' ' CYS . 3.0 pp20? -55.27 -34.53 64.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.95 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.476 ' N ' ' CD ' ' A' ' 42' ' ' GLU . 5.8 t80 -63.83 -49.01 74.49 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.183 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 42.7 m170 -64.34 -41.73 96.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.314 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.522 ' O ' ' N ' ' A' ' 49' ' ' VAL . 97.7 mtt180 -55.3 -54.08 48.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.353 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 -45.94 -34.37 3.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.59 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.0 mt -80.22 -35.35 36.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.493 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.3 mttm -86.58 -9.58 55.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.688 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.542 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 73.2 t -98.49 124.62 51.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.703 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.542 ' CD2' ' O ' ' A' ' 49' ' ' VAL . 19.6 m-85 -162.73 99.22 1.0 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.322 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.463 ' OXT' ' ND1' ' A' ' 51' ' ' HIS . 48.5 t-80 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.556 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.538 ' N ' ' O ' ' B' ' 117' ' ' VAL . 34.8 ttp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -85.32 133.49 34.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.546 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 19.3 pt -133.53 148.55 30.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.611 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -101.87 144.56 30.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.745 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 39.8 t -127.67 107.53 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.248 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -80.77 132.68 35.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.7 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' B' ' 111' ' ' LYS . 40.9 p -89.41 -170.02 2.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.209 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.591 ' CD2' ' N ' ' B' ' 108' ' ' LEU . 2.9 mm? -75.91 -55.31 5.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.528 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' THR . . . . . 0.614 ' HG1' ' N ' ' B' ' 110' ' ' GLY . 7.1 p -56.38 -47.71 78.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.566 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . 0.614 ' N ' ' HG1' ' B' ' 109' ' ' THR . . . 146.86 -1.85 0.83 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.433 ' O ' ' OG1' ' B' ' 107' ' ' THR . 50.9 tttp -74.85 124.97 27.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.84 0.353 . . . . 0.0 110.578 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 6.8 m -97.57 155.38 16.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.555 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 4.0 mt -134.2 129.37 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.593 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 14.0 m -92.87 117.34 29.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.406 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 24.9 mt -119.67 130.87 55.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.774 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -88.35 123.07 32.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.137 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' B' ' 101' ' ' MET . 15.5 m -147.81 -168.05 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.861 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -141.16 149.52 55.63 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.944 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.82 -20.45 1.1 Allowed 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.584 2.189 . . . . 0.0 112.631 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.3 p -94.93 11.92 30.12 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.228 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -84.12 135.78 34.26 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.347 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' THR . . . . . 0.499 ' O ' ' N ' ' B' ' 125' ' ' ASN . 6.9 p -84.74 132.64 34.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.782 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . 0.435 HG21 HD13 ' B' ' 123' ' ' ILE . 28.0 mm -42.43 -31.58 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.057 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -66.85 -39.95 87.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.166 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' B' ' 122' ' ' THR . 16.9 m120 -64.74 -38.95 92.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.941 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 14.1 t -65.19 -51.92 59.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.959 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -49.91 -39.26 39.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.037 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.0 -45.75 87.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.254 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -55.7 -39.1 70.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.305 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 8.9 mt -68.8 -39.42 80.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.259 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -58.34 -31.55 67.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.252 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -77.48 -42.24 36.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.636 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -64.55 -63.2 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.594 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -86.11 -108.11 0.05 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.629 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -172.98 11.57 0.04 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.789 -0.925 . . . . 0.0 110.789 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.555 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 45.2 mt -86.06 115.78 63.22 Favored Pre-proline 0 C--N 1.329 -0.307 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -64.24 153.38 76.86 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 121.534 1.489 . . . . 0.0 111.621 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.526 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.6 Cg_endo -48.11 -67.77 0.1 Allowed 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.503 2.135 . . . . 0.0 111.942 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -40.31 -23.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.991 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' B' ' 138' ' ' PRO . 27.3 mt-30 -101.48 33.67 2.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.7 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . 0.555 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 81.4 mt-30 -134.61 164.44 27.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . 0.647 ' HE ' ' NE2' ' B' ' 149' ' ' GLN . 16.7 ttt85 -170.42 105.96 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.859 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 11.3 mt -89.37 141.9 28.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.7 mt -127.97 133.21 67.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.985 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . 0.498 ' O ' ' N ' ' B' ' 148' ' ' LYS . 45.8 t80 -140.84 156.62 46.09 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.581 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 40.78 27.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.646 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' B' ' 145' ' ' PHE . . . 70.53 38.23 68.8 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' B' ' 145' ' ' PHE . 76.4 mttt -147.21 133.69 19.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.755 0.312 . . . . 0.0 110.617 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . 0.647 ' NE2' ' HE ' ' B' ' 142' ' ' ARG . 8.5 tt0 -68.99 138.13 54.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.384 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 16.7 mt -95.24 137.13 34.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.893 0.377 . . . . 0.0 110.662 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -84.19 163.02 19.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.636 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.7 -35.88 33.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.835 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -88.68 40.35 3.08 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.384 -0.687 . . . . 0.0 111.384 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -139.65 170.53 15.73 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 29.4 p -113.67 167.91 10.22 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.897 0.379 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.54 -39.53 93.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.68 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 157' ' ' SER . . . . . 0.503 ' C ' ' H ' ' B' ' 159' ' ' TYR . 10.4 t -63.75 -30.46 71.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -69.41 10.68 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.783 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . 0.503 ' H ' ' C ' ' B' ' 157' ' ' SER . 48.2 m-85 -140.72 13.05 2.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.508 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . 0.421 ' O ' ' OD1' ' B' ' 160' ' ' ASN . 53.4 t-20 59.2 23.44 11.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.648 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 93.0 mt -76.12 94.86 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.445 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -80.02 -156.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.688 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -80.96 159.79 24.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.741 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 54.88 36.08 25.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.701 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 26.4 m -88.24 137.67 32.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.532 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 4.9 m -92.89 107.7 19.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.581 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 11.2 mt -99.74 123.73 44.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.662 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 168' ' ' HIS . . . . . 0.691 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -81.49 111.32 17.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.035 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 27.5 tp -89.83 122.7 33.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.705 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.1 t -122.78 139.03 50.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.264 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . 0.467 ' N ' ' CD1' ' B' ' 171' ' ' LEU . 8.0 mp -81.03 101.94 9.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.555 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -57.73 103.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.484 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 21.6 mt -70.12 113.92 7.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.579 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -85.17 131.44 34.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.487 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 179.7 -79.82 0.06 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 176' ' ' GLY . . . . . 0.645 ' N ' ' HH ' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.525 0.692 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 201' ' ' MET . . . . . 0.541 ' N ' ' O ' ' C' ' 217' ' ' VAL . 31.5 ttp . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 202' ' ' GLN . . . . . 0.412 ' N ' ' CG ' ' C' ' 201' ' ' MET . 61.7 mt-30 -126.77 113.1 16.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.265 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 25.9 pt -110.46 148.89 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.969 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -103.25 157.1 17.24 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.388 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 23.2 t -136.5 105.1 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.228 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -81.35 129.78 34.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.639 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 207' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' C' ' 211' ' ' LYS . 36.8 p -87.79 -171.6 3.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.381 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 208' ' ' LEU . . . . . 0.573 ' N ' ' CD2' ' C' ' 208' ' ' LEU . 3.2 mm? -71.03 -59.35 2.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.544 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 17.3 p -56.39 -46.49 80.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.542 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 149.95 -13.07 0.98 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 211' ' ' LYS . . . . . 0.427 ' O ' ' OG1' ' C' ' 207' ' ' THR . 82.7 tttt -57.58 118.31 5.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.81 0.338 . . . . 0.0 110.595 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 18.1 m -97.63 154.39 17.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.504 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 1.5 mt -135.7 126.57 43.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.617 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 17.9 m -98.51 128.31 44.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.439 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 36.4 mt -131.42 136.44 48.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.874 0.369 . . . . 0.0 110.781 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -86.3 123.9 32.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.184 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 217' ' ' VAL . . . . . 0.541 ' O ' ' N ' ' C' ' 201' ' ' MET . 16.1 m -147.74 -174.55 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.928 0.394 . . . . 0.0 110.968 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 218' ' ' GLU . . . . . 0.416 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 48.1 mt-10 -133.6 151.87 77.99 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.9 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.37 -26.68 4.21 Favored 'Trans proline' 0 C--N 1.31 -1.492 0 C-N-CA 122.608 2.205 . . . . 0.0 112.577 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 220' ' ' SER . . . . . 0.467 ' H ' ' HG ' ' C' ' 220' ' ' SER . 2.8 p -79.91 -28.81 39.76 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.139 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 221' ' ' ASP . . . . . 0.416 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 1.2 m-20 -42.69 135.61 2.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.915 0.388 . . . . 0.0 110.65 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 222' ' ' THR . . . . . 0.438 ' O ' ' N ' ' C' ' 225' ' ' ASN . 19.3 p -89.51 139.17 30.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.538 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 223' ' ' ILE . . . . . 0.415 HG21 HD13 ' C' ' 223' ' ' ILE . 19.4 mm -43.77 -47.32 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.524 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -55.68 -33.49 64.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.402 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 225' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' C' ' 222' ' ' THR . 11.6 t30 -67.87 -42.08 81.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.218 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 22.0 t -63.85 -47.31 91.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.24 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -55.75 -38.73 70.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.111 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.39 98.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.184 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -60.18 -46.62 89.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.339 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 61.2 mt -59.96 -40.14 82.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.27 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 231' ' ' GLN . . . . . 0.532 HE22 ' C ' ' C' ' 235' ' ' GLY . 2.0 tp-100 -61.35 -30.91 70.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.219 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -78.36 -17.63 56.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.48 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -89.94 -61.8 1.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.594 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -85.38 -107.0 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.576 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 235' ' ' GLY . . . . . 0.532 ' C ' HE22 ' C' ' 231' ' ' GLN . . . -175.98 18.04 0.04 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 236' ' ' ILE . . . . . 0.507 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 23.9 mt -89.53 114.39 60.31 Favored Pre-proline 0 C--N 1.33 -0.263 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.14 150.03 81.55 Favored 'Trans proline' 0 N--CA 1.488 1.197 0 C-N-CA 121.46 1.44 . . . . 0.0 111.487 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -47.63 -56.74 2.82 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.337 2.025 . . . . 0.0 111.854 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 239' ' ' ASP . . . . . 0.486 ' O ' ' NE ' ' C' ' 272' ' ' ARG . 2.6 p-10 -50.14 -21.44 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.54 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -106.54 33.89 3.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.634 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 241' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 79.6 mt-30 -134.37 150.25 50.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.604 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 242' ' ' ARG . . . . . 0.492 ' NH2' ' OD1' ' D' ' 328' ' ' ASN . 41.7 ttt85 -155.63 115.79 3.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.166 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 243' ' ' LEU . . . . . 0.502 ' N ' ' CD1' ' C' ' 243' ' ' LEU . 6.6 mp -93.71 126.48 38.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.801 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.4 mt -128.33 117.59 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 245' ' ' PHE . . . . . 0.53 ' CE2' ' OD2' ' A' ' 25' ' ' ASP . 44.9 t80 -105.71 77.41 1.26 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.896 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 62.21 89.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.808 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 247' ' ' GLY . . . . . 0.519 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 45.92 43.01 12.12 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -150.81 97.66 2.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 110.697 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 249' ' ' GLN . . . . . 0.553 HE21 ' C ' ' C' ' 250' ' ' LEU . 0.3 OUTLIER -76.62 118.23 19.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.096 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 250' ' ' LEU . . . . . 0.553 ' C ' HE21 ' C' ' 249' ' ' GLN . 10.7 mt -77.51 137.47 38.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 111.044 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -80.8 160.37 24.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.4 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.62 -7.04 59.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.867 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -117.52 40.95 2.19 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -137.23 175.41 9.64 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 255' ' ' THR . . . . . 0.524 ' C ' ' H ' ' C' ' 257' ' ' SER . 21.9 p -119.36 157.2 28.64 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.542 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 94.1 mt -57.87 -3.63 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.606 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 257' ' ' SER . . . . . 0.524 ' H ' ' C ' ' C' ' 255' ' ' THR . 76.9 p -96.4 -20.58 18.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.623 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.8 10.82 4.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.705 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -140.59 8.9 2.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.61 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 260' ' ' ASN . . . . . 0.504 ' O ' ' ND2' ' C' ' 260' ' ' ASN . 3.1 t30 61.33 14.35 5.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 74.0 mt -61.74 94.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.366 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 262' ' ' GLN . . . . . 0.418 ' C ' ' SD ' ' C' ' 201' ' ' MET . 3.7 tt0 -76.95 -156.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.697 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -83.71 156.9 22.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.932 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 59.57 33.8 22.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.963 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 39.9 m -89.19 126.84 35.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.534 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 9.6 m -85.67 110.73 19.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.562 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 11.9 mt -99.45 120.46 39.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.706 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 268' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -76.82 113.47 14.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.343 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 30.1 tp -90.09 124.08 34.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.61 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 2.2 t -124.78 139.45 50.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.179 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 271' ' ' LEU . . . . . 0.434 ' CD1' ' N ' ' C' ' 271' ' ' LEU . 8.3 mp -74.71 103.58 5.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.657 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 272' ' ' ARG . . . . . 0.486 ' NE ' ' O ' ' C' ' 239' ' ' ASP . 53.2 ttp85 -61.1 105.43 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.483 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 273' ' ' LEU . . . . . 0.515 ' CD2' ' HE2' ' D' ' 344' ' ' HIS . 23.2 mt -71.75 171.61 11.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.624 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.588 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.75 0.309 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -84.73 92.84 8.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.512 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 15.2 mt -95.09 33.65 1.5 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.543 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 56.2 m -91.19 18.53 6.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.657 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -144.37 26.52 1.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.587 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -96.23 171.24 8.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.397 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -121.58 165.83 15.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.497 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -54.22 -49.02 70.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.554 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 321' ' ' ALA . . . . . 0.41 ' O ' ' CB ' ' D' ' 325' ' ' ASP . . . -63.11 -41.35 99.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 322' ' ' GLU . . . . . 0.426 ' O ' ' OG1' ' D' ' 326' ' ' THR . 64.0 mm-40 -56.56 -59.43 5.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.748 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 15.3 mt -58.19 -57.82 11.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.643 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 324' ' ' ARG . . . . . 0.643 ' NH1' HD22 ' D' ' 328' ' ' ASN . 10.5 tpt85 -53.99 -53.28 55.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.064 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 325' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' D' ' 329' ' ' THR . 36.5 t70 -63.32 -44.75 94.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.968 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 326' ' ' THR . . . . . 0.459 ' O ' ' N ' ' D' ' 330' ' ' SER . 65.6 m -59.12 -39.29 81.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.606 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 78.7 mt -73.31 -32.97 39.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.176 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 328' ' ' ASN . . . . . 0.643 HD22 ' NH1' ' D' ' 324' ' ' ARG . 0.9 OUTLIER -85.33 -21.73 28.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.975 -179.701 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.492 ' N ' ' O ' ' D' ' 325' ' ' ASP . 57.9 p -102.28 -36.56 8.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.926 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 330' ' ' SER . . . . . 0.459 ' N ' ' O ' ' D' ' 326' ' ' THR . 1.2 t -92.04 179.55 5.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.971 0.415 . . . . 0.0 111.039 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 331' ' ' CYS . . . . . 0.519 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 11.3 p -147.24 9.56 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.213 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.35 93.85 0.24 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.432 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 1.6 mt -38.52 -46.51 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.953 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -53.28 -57.34 10.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.114 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 335' ' ' LEU . . . . . 0.508 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 9.5 mt -57.72 -46.22 84.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.018 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 93.3 mt -51.51 -43.07 62.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.51 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -67.22 -49.08 65.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.707 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -68.13 -32.85 73.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.984 0.421 . . . . 0.0 110.714 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 339' ' ' CYS . . . . . 0.508 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 84.3 m -68.29 -43.37 77.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.19 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 340' ' ' ARG . . . . . 0.4 ' CZ ' ' CB ' ' D' ' 340' ' ' ARG . 10.1 mtp-105 -69.55 -40.45 76.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.942 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 341' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' D' ' 342' ' ' GLU . 5.1 pt-20 -63.84 -43.93 94.69 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.632 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 342' ' ' GLU . . . . . 0.435 ' N ' ' CG ' ' D' ' 341' ' ' GLU . 3.8 pt-20 -69.86 -37.88 76.24 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.182 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -59.53 -45.56 91.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.884 0.373 . . . . 0.0 110.277 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 344' ' ' HIS . . . . . 0.515 ' HE2' ' CD2' ' C' ' 273' ' ' LEU . 59.3 m170 -66.97 -53.46 31.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.466 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -45.84 -54.84 7.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.235 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.443 179.896 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.833 0.349 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.3 p30 -79.31 93.63 5.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.454 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.8 mt -91.31 43.7 1.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.8 t -86.24 -5.34 59.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.794 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.9 mttp -147.59 78.19 1.45 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.776 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -128.77 163.21 25.66 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.355 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -107.35 164.34 12.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.536 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.422 ' OH ' ' O ' ' B' ' 175' ' ' GLY . 12.9 t80 -63.08 -49.29 75.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.411 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.05 -38.87 84.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.635 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.431 ' O ' ' OG1' ' A' ' 26' ' ' THR . 95.5 mt-10 -63.11 -56.72 14.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.743 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.1 mt -54.37 -58.33 7.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.617 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.519 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 5.9 tpt180 -53.01 -52.28 58.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.519 ' OD1' ' CE2' ' C' ' 245' ' ' PHE . 36.8 t0 -53.02 -51.57 61.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.332 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 30' ' ' SER . 6.5 m -50.96 -47.91 61.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.863 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.9 mt -74.36 -18.31 16.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.828 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.639 HD21 ' N ' ' A' ' 28' ' ' ASN . 0.8 OUTLIER -99.63 -4.13 31.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.17 -179.781 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 20.6 p -135.45 -40.74 0.72 Allowed 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.074 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.524 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.9 OUTLIER -71.98 168.42 18.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.968 0.413 . . . . 0.0 111.095 -179.358 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.7 p -146.78 88.01 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.319 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -162.42 99.7 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.604 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.4 mt -39.87 -36.69 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.633 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -62.1 -58.94 5.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.261 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.0 mt -60.62 -48.29 82.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.046 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.0 mt -53.87 -46.78 71.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.512 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.78 -49.09 79.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.432 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.12 -53.17 59.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.493 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 78.9 m -51.75 -43.65 63.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.371 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.8 mtp85 -65.91 -38.27 88.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.525 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -62.32 -46.05 90.45 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.945 -179.261 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.525 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 3.7 pt-20 -71.08 -35.34 71.82 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -61.43 -42.34 98.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.899 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -68.61 -53.82 20.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.282 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 84.0 mtt-85 -46.42 -53.48 10.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.94 0.4 . . . . 0.0 110.247 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -47.31 -40.57 17.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.51 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.6 mt -72.75 -49.19 32.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.552 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -48.83 -51.68 28.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.595 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.9 m -75.1 -171.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.585 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -77.28 64.56 2.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.625 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 78.7 m80 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.653 -179.91 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.543 ' N ' ' O ' ' B' ' 117' ' ' VAL . 30.3 ttp . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . 0.522 ' OE1' ' N ' ' B' ' 103' ' ' ILE . 0.9 OUTLIER -91.4 130.41 37.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.491 179.852 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . 0.522 ' N ' ' OE1' ' B' ' 102' ' ' GLN . 24.6 pt -134.75 146.3 30.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.79 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -100.62 136.4 40.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.735 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 85.4 t -122.82 105.09 15.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.279 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -91.22 135.33 33.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.678 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 31.3 p -90.78 -163.35 1.01 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.408 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.618 ' CD2' ' H ' ' B' ' 108' ' ' LEU . 0.4 OUTLIER -86.31 -26.48 24.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.505 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 4.5 p -76.78 -46.13 26.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.562 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 142.21 3.5 1.04 Allowed Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.519 ' NZ ' ' OE2' ' B' ' 134' ' ' GLU . 77.3 tttt -75.71 129.41 37.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.734 0.302 . . . . 0.0 110.659 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 64.6 m -112.15 111.67 22.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.543 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 7.9 mt -97.45 133.52 38.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.56 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 34.5 m -99.7 105.55 17.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.397 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.6 ' CD2' ' N ' ' B' ' 115' ' ' LEU . 1.9 mm? -101.65 133.21 46.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.762 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -96.22 95.17 7.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.85 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' B' ' 101' ' ' MET . 19.3 m -119.54 -162.37 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.012 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.513 ' N ' ' OD2' ' B' ' 121' ' ' ASP . 17.4 mt-10 -147.78 152.87 41.9 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.841 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -46.04 -43.6 20.04 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.773 2.315 . . . . 0.0 112.759 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.76 15.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.463 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . 0.513 ' OD2' ' N ' ' B' ' 118' ' ' GLU . 2.9 m-20 -91.59 136.07 33.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.363 . . . . 0.0 110.404 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 3.6 p -82.34 140.41 33.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.045 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . 0.419 HG22 HD11 ' B' ' 123' ' ' ILE . 34.3 mm -46.53 -47.25 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.235 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -52.79 -37.02 59.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.201 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -65.0 -41.94 94.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.988 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 17.6 t -62.16 -39.81 85.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.963 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -61.09 -36.92 80.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.204 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.71 -42.06 91.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.182 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -61.37 -51.61 68.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.372 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 69.1 mt -56.35 -46.08 81.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.399 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . 0.432 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.7 OUTLIER -55.53 -31.87 62.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.12 179.806 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -70.11 -37.97 75.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.353 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -72.65 -63.68 1.11 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.22 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . 0.519 ' OE2' ' NZ ' ' B' ' 111' ' ' LYS . 31.1 mm-40 -79.93 -117.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.633 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -165.26 9.91 0.07 OUTLIER Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.439 ' O ' ' OE1' ' B' ' 141' ' ' GLN . 25.7 mt -79.75 116.31 60.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.91 152.12 76.88 Favored 'Trans proline' 0 C--N 1.314 -1.282 0 C-N-CA 121.497 1.465 . . . . 0.0 111.454 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -47.28 -67.97 0.1 Allowed 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.444 2.096 . . . . 0.0 112.004 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -43.49 -22.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' B' ' 138' ' ' PRO . 23.8 mt-30 -102.63 35.61 2.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.814 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . 0.439 ' OE1' ' O ' ' B' ' 136' ' ' ILE . 33.7 mt-30 -134.62 165.92 24.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.9 0.381 . . . . 0.0 110.811 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . 0.669 HH21 ' NE ' ' B' ' 172' ' ' ARG . 23.1 ttm180 -170.32 132.16 1.0 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.093 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 14.8 mt -112.77 135.27 53.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.061 0.458 . . . . 0.0 111.063 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.7 mt -125.09 128.91 73.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.095 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -146.6 153.62 40.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.555 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 54.56 26.49 7.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 67.9 30.88 74.57 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -147.9 140.48 24.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.746 0.308 . . . . 0.0 110.47 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . 0.572 ' NE2' ' CZ ' ' B' ' 142' ' ' ARG . 31.0 tt0 -73.85 139.24 44.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.516 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 17.5 mt -91.3 139.23 30.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.678 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -78.92 158.29 28.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.575 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.09 3.72 45.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.703 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -122.9 23.81 6.88 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -125.4 172.54 9.55 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 30.4 p -113.83 157.63 22.06 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.893 0.378 . . . . 0.0 110.521 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 64.0 mt -57.24 -22.23 39.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.513 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 7.8 t -79.16 -20.63 47.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.589 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -82.08 12.09 4.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.603 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -140.74 9.75 2.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.545 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 62.78 16.29 8.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 97.2 mt -68.4 92.24 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.809 0.338 . . . . 0.0 110.354 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -78.63 -157.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.749 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . 0.426 ' NH1' ' CG ' ' B' ' 163' ' ' ARG . 14.2 ptt-85 -80.38 161.2 25.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.688 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 57.57 34.33 24.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.753 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 8.6 m -89.45 129.33 35.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.463 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 15.2 m -94.18 99.99 12.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.638 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 2.0 mp -91.77 152.12 20.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.59 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 168' ' ' HIS . . . . . 0.68 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -100.59 117.16 34.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.081 179.715 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 40.0 tp -92.06 130.92 37.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.429 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.0 t -135.88 139.57 45.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.337 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . 0.495 ' N ' ' CD1' ' B' ' 171' ' ' LEU . 7.8 mp -81.08 110.25 16.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.543 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . 0.669 ' NE ' HH21 ' B' ' 142' ' ' ARG . 16.9 ttm180 -66.02 104.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.547 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 173' ' ' LEU . . . . . 0.425 ' O ' ' NE ' ' A' ' 24' ' ' ARG . 25.4 mt -76.61 102.47 6.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.489 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 16.7 ttp85 -77.63 156.61 30.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 175' ' ' GLY . . . . . 0.422 ' O ' ' OH ' ' A' ' 20' ' ' TYR . . . 160.05 121.79 0.61 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.682 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 201' ' ' MET . . . . . 0.517 ' N ' ' O ' ' C' ' 217' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -88.58 113.85 24.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.758 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 15.5 pt -107.39 147.74 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.584 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -100.82 145.43 28.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.451 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 91.1 t -129.18 109.12 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.315 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -83.96 138.04 33.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.75 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 18.4 p -101.81 -150.45 0.4 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.346 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 208' ' ' LEU . . . . . 0.608 ' CD2' ' H ' ' C' ' 208' ' ' LEU . 0.4 OUTLIER -88.8 -44.48 10.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.518 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 209' ' ' THR . . . . . 0.506 ' C ' ' H ' ' C' ' 211' ' ' LYS . 7.5 p -74.39 23.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.599 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 210' ' ' GLY . . . . . 0.523 ' H ' ' C ' ' C' ' 208' ' ' LEU . . . 72.75 -18.23 1.42 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 211' ' ' LYS . . . . . 0.506 ' H ' ' C ' ' C' ' 209' ' ' THR . 78.6 tttt -46.14 159.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.725 0.298 . . . . 0.0 110.559 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 6.6 m -139.49 146.04 39.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.589 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 4.6 mt -128.41 129.67 69.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.73 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 17.4 m -100.67 116.89 33.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.206 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 29.9 mt -124.72 137.38 54.35 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.911 0.386 . . . . 0.0 110.915 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -82.06 126.59 32.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.11 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 217' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' C' ' 201' ' ' MET . 12.9 m -147.05 -174.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.949 0.404 . . . . 0.0 111.002 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 218' ' ' GLU . . . . . 0.524 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 2.9 mt-10 -140.54 149.91 58.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.694 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.9 -43.72 15.05 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.333 2.022 . . . . 0.0 112.293 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.4 p -62.66 -34.44 77.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.093 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 221' ' ' ASP . . . . . 0.524 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 5.9 m-20 -41.65 135.31 2.22 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 110.817 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 41.4 p -86.35 149.13 25.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.804 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 29.8 mm -54.47 -43.95 65.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.321 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 224' ' ' GLU . . . . . 0.42 ' CD ' ' N ' ' C' ' 225' ' ' ASN . 2.4 pp20? -57.2 -39.24 75.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.331 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 225' ' ' ASN . . . . . 0.52 ' OD1' ' NZ ' ' C' ' 229' ' ' LYS . 46.4 t-20 -63.37 -38.37 90.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.086 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 55.4 t -65.04 -55.1 22.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.173 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 227' ' ' LYS . . . . . 0.511 ' NZ ' ' O ' ' C' ' 241' ' ' GLN . 43.5 mttm -48.16 -39.51 21.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.164 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.79 89.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.25 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 229' ' ' LYS . . . . . 0.52 ' NZ ' ' OD1' ' C' ' 225' ' ' ASN . 38.3 mttp -56.2 -39.81 73.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.351 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 6.6 mt -67.44 -37.98 79.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.296 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -62.16 -27.13 68.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.361 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.58 -26.93 29.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.789 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 26.5 mmtm -82.39 -62.82 1.51 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.756 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -85.07 -104.64 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.806 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -175.79 19.55 0.05 OUTLIER Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 236' ' ' ILE . . . . . 0.517 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 17.6 mt -95.18 111.36 54.63 Favored Pre-proline 0 C--N 1.33 -0.266 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -63.74 153.4 75.61 Favored 'Trans proline' 0 C--N 1.314 -1.277 0 C-N-CA 121.604 1.536 . . . . 0.0 111.777 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 238' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.8 Cg_endo -46.76 -60.4 0.89 Allowed 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.673 2.248 . . . . 0.0 111.871 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -45.56 -23.04 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.612 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 240' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' C' ' 238' ' ' PRO . 0.6 OUTLIER -109.56 36.02 3.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.473 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 241' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 55.3 mt-30 -134.42 147.53 50.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.31 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 242' ' ' ARG . . . . . 0.631 ' NH2' HE22 ' C' ' 249' ' ' GLN . 1.1 ttt-85 -154.9 105.84 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.127 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 19.6 mt -86.53 128.34 34.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.615 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.6 mt -127.95 133.13 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.619 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 245' ' ' PHE . . . . . 0.519 ' CE2' ' OD1' ' A' ' 25' ' ' ASP . 65.9 t80 -125.35 90.13 3.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.664 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 246' ' ' ALA . . . . . 0.429 ' C ' ' H ' ' C' ' 248' ' ' LYS . . . 64.42 53.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.804 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 247' ' ' GLY . . . . . 0.419 ' H ' ' HB3' ' D' ' 331' ' ' CYS . . . 77.25 -15.41 6.94 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 248' ' ' LYS . . . . . 0.429 ' H ' ' C ' ' C' ' 246' ' ' ALA . 64.6 mmtt -81.89 94.28 7.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.349 . . . . 0.0 110.597 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 249' ' ' GLN . . . . . 0.631 HE22 ' NH2' ' C' ' 242' ' ' ARG . 26.8 tt0 -71.66 124.34 24.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.129 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 9.0 mt -83.66 133.77 34.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 110.843 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 251' ' ' GLU . . . . . 0.471 ' CD ' ' N ' ' C' ' 251' ' ' GLU . 1.2 mp0 -86.85 161.43 18.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.44 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.66 -28.15 60.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.865 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -94.92 41.97 2.45 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 36.5 mmt-85 -139.69 177.96 7.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.73 0.3 . . . . 0.0 110.498 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 40.8 p -123.72 164.85 18.3 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.619 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 97.6 mt -65.85 -12.76 56.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.683 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 257' ' ' SER . . . . . 0.525 ' C ' ' H ' ' C' ' 259' ' ' TYR . 9.4 t -85.77 -31.26 22.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.648 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.8 17.21 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.619 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 259' ' ' TYR . . . . . 0.525 ' H ' ' C ' ' C' ' 257' ' ' SER . 65.6 m-85 -140.62 1.77 1.75 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.599 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 2.4 m120 64.13 20.01 12.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 87.5 mt -68.67 102.96 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.442 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -80.79 -156.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.81 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.41 159.78 19.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.735 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 53.06 32.16 12.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.706 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 53.9 m -81.8 128.75 34.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.513 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 85.5 m -88.81 104.91 17.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.549 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 8.2 mt -91.76 167.25 12.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.586 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 268' ' ' HIS . . . . . 0.655 ' N ' ' HD1' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -121.97 98.31 5.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.021 179.778 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 63.2 tp -78.47 148.57 33.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.781 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 2.1 t -145.29 165.61 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.249 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 271' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' C' ' 273' ' ' LEU . 7.5 mp -101.45 84.55 2.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.387 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -45.64 90.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.499 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 273' ' ' LEU . . . . . 0.525 ' O ' ' NH2' ' D' ' 324' ' ' ARG . 26.5 mt -56.8 165.29 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.447 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.481 179.958 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.817 0.342 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.01 92.84 6.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.481 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 13.8 mt -96.39 36.62 1.33 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.585 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 31.6 p -84.73 18.47 2.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.607 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -146.65 40.9 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.65 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -109.86 176.72 4.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.454 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 319' ' ' LYS . . . . . 0.508 ' N ' ' OE1' ' D' ' 322' ' ' GLU . 35.0 mttp -125.39 169.86 11.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.614 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -61.6 -46.63 89.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.524 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 321' ' ' ALA . . . . . 0.404 ' O ' ' CB ' ' D' ' 325' ' ' ASP . . . -60.4 -50.36 73.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.687 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 322' ' ' GLU . . . . . 0.508 ' OE1' ' N ' ' D' ' 319' ' ' LYS . 66.3 mt-10 -54.93 -56.9 14.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.827 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.91 -59.74 4.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.661 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 324' ' ' ARG . . . . . 0.525 ' NH2' ' O ' ' C' ' 273' ' ' LEU . 6.9 tpt180 -52.95 -41.28 64.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.685 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 325' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' D' ' 329' ' ' THR . 10.1 t70 -68.53 -45.87 71.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.745 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 326' ' ' THR . . . . . 0.548 ' O ' ' N ' ' D' ' 330' ' ' SER . 29.6 m -57.53 -46.27 84.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.567 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 96.5 mt -72.1 -31.15 38.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.606 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 328' ' ' ASN . . . . . 0.526 ' N ' HD21 ' D' ' 328' ' ' ASN . 0.9 OUTLIER -84.31 -22.92 30.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.026 -179.508 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.592 ' HG1' ' H ' ' D' ' 330' ' ' SER . 61.8 p -108.8 -49.15 3.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.923 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 330' ' ' SER . . . . . 0.592 ' H ' ' HG1' ' D' ' 329' ' ' THR . 0.4 OUTLIER -74.36 178.55 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.002 0.429 . . . . 0.0 110.859 -179.563 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 331' ' ' CYS . . . . . 0.419 ' HB3' ' H ' ' C' ' 247' ' ' GLY . 3.0 p -146.46 9.43 1.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.12 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -66.13 91.61 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.485 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 2.2 mt -38.31 -40.8 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.856 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -56.46 -54.73 42.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.236 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 335' ' ' LEU . . . . . 0.497 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 10.1 mt -62.86 -36.56 83.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.301 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.01 -43.74 82.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.115 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -69.53 -49.05 58.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.671 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.77 -40.08 94.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.469 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 339' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 85.3 m -64.82 -42.23 95.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.079 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 -66.27 -44.14 84.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.157 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 341' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' D' ' 342' ' ' GLU . 4.2 pt-20 -62.35 -45.07 94.83 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.861 -179.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 342' ' ' GLU . . . . . 0.454 ' N ' ' CG ' ' D' ' 341' ' ' GLU . 3.2 pt-20 -67.9 -35.96 79.37 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.14 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -60.75 -43.61 97.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.965 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -66.18 -53.09 41.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.197 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -46.34 -54.65 8.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.362 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.581 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 16.7 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.709 0.29 . . . . 0.0 110.598 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.75 92.97 6.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.562 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.5 mt -94.99 44.9 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.383 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.6 t -80.37 15.88 1.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -172.36 84.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.658 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.6 m95 -133.96 161.75 33.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.318 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -105.37 165.57 11.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.758 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -66.29 -48.49 70.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.621 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.63 -36.3 82.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.804 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.54 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 3.6 mp0 -67.58 -49.12 64.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.573 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.3 mt -58.75 -58.99 6.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.286 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.639 HH21 ' NH1' ' B' ' 142' ' ' ARG . 5.5 tpt180 -53.12 -53.14 54.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.449 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.46 ' OD1' ' CZ ' ' C' ' 245' ' ' PHE . 60.7 t0 -52.82 -50.96 62.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.436 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.589 ' O ' ' N ' ' A' ' 30' ' ' SER . 99.5 m -51.16 -48.9 61.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.726 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.407 HD11 HG23 ' A' ' 27' ' ' ILE . 96.6 mt -67.5 -25.48 33.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.505 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.64 HD21 ' N ' ' A' ' 28' ' ' ASN . 0.8 OUTLIER -93.08 -7.44 45.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 -179.462 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 14.2 p -129.02 -6.24 4.96 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.656 0.265 . . . . 0.0 110.734 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.589 ' N ' ' O ' ' A' ' 26' ' ' THR . 2.4 t -121.04 147.26 45.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.906 0.384 . . . . 0.0 110.812 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.4 p -119.97 17.18 12.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.041 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' ILE . 10.7 m-20 -75.24 90.94 2.61 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.586 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 32' ' ' ASP . 3.1 mt -38.7 -39.08 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.824 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -58.62 -59.02 6.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.38 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.449 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 13.4 mt -58.69 -40.17 82.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.139 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.6 mt -55.74 -43.53 76.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.282 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.04 -48.9 66.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.371 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.65 -45.65 93.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.435 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 71.6 m -59.79 -53.47 57.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.124 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.5 mtp85 -52.99 -42.69 65.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.241 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -57.86 -60.93 2.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.78 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -60.89 -37.87 83.71 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.559 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -57.86 -39.4 77.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.348 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -72.04 -53.17 13.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.369 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 59.6 mtt85 -45.86 -48.17 15.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.39 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 -50.5 -34.66 26.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.408 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.0 mt -90.16 -60.19 1.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.564 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -47.16 -30.78 3.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.609 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.4 t -101.5 158.51 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.459 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 50' ' ' TYR . 11.9 p90 -154.83 50.5 0.6 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.546 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.595 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.523 ' N ' ' O ' ' B' ' 117' ' ' VAL . 31.6 ttp . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -87.1 130.44 34.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.725 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 18.6 pt -132.24 153.28 38.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.461 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -111.34 145.65 38.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.72 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 98.4 t -123.27 109.65 24.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.362 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -82.33 137.25 34.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.645 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 64.4 p -103.25 -156.67 0.57 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.397 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.609 ' CD2' ' H ' ' B' ' 108' ' ' LEU . 0.4 OUTLIER -83.87 -58.4 2.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.466 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 19.8 p -61.22 0.12 0.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.58 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . 0.529 ' H ' ' C ' ' B' ' 108' ' ' LEU . . . 95.3 -13.32 66.97 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -53.97 122.04 9.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 110.46 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.1 m -104.64 142.61 34.35 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.473 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 5.7 mt -122.66 129.81 74.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.522 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 8.8 m -99.4 124.85 44.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.361 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 28.0 mt -130.91 140.68 50.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.906 0.384 . . . . 0.0 110.674 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.46 ' N ' ' CD ' ' B' ' 116' ' ' GLU . 19.3 mp0 -89.9 120.65 31.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.221 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' B' ' 101' ' ' MET . 4.1 m -142.01 -168.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.836 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.531 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 10.5 mt-10 -144.88 147.59 35.78 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.017 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.06 -9.8 0.05 OUTLIER 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.32 2.014 . . . . 0.0 112.25 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' SER . . . . . 0.504 ' H ' ' C ' ' B' ' 118' ' ' GLU . 2.4 p -104.64 11.74 33.78 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.882 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . 0.531 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 1.1 m-20 -86.35 135.37 33.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.326 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 7.9 p -81.95 134.74 35.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . 0.41 HD11 HG22 ' B' ' 123' ' ' ILE . 30.9 mm -44.93 -46.57 2.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.258 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -54.06 -36.41 63.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.15 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.61 -41.62 92.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.087 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 18.2 t -62.77 -42.75 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.027 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -58.34 -39.04 78.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.094 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.15 97.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.195 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -60.39 -50.3 74.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.286 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 79.2 mt -57.17 -47.09 84.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.372 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.01 -29.74 58.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.309 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -72.61 -40.19 66.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.45 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -71.21 -64.91 0.82 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.215 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -77.91 -116.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.501 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -167.11 10.66 0.06 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.443 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 40.4 mt -80.76 116.28 61.22 Favored Pre-proline 0 C--N 1.33 -0.273 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.2 152.84 63.23 Favored 'Trans proline' 0 C--N 1.315 -1.234 0 C-N-CA 121.446 1.431 . . . . 0.0 111.618 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -47.22 -60.97 0.68 Allowed 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.451 2.101 . . . . 0.0 111.832 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -47.04 -23.28 0.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.603 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -101.03 30.95 3.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.673 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 85.8 mt-30 -134.42 142.03 47.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.605 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . 0.639 ' NH1' HH21 ' A' ' 24' ' ' ARG . 17.1 ttm180 -151.69 114.5 4.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.295 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.7 mt -92.2 132.98 36.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.043 0.449 . . . . 0.0 110.95 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.9 mt -128.98 142.7 43.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.297 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -144.8 102.58 3.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.622 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 66.48 69.12 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.773 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 42.35 45.21 5.26 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -149.69 116.84 6.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.594 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . 0.519 ' NE2' ' O ' ' B' ' 150' ' ' LEU . 19.0 tm0? -78.76 126.46 30.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.175 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.519 ' O ' ' NE2' ' B' ' 149' ' ' GLN . 10.2 mt -79.13 117.3 20.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 0.0 110.692 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -53.36 156.01 2.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.546 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.18 -13.85 42.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -110.9 36.97 3.94 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -139.42 171.65 13.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.767 0.318 . . . . 0.0 110.37 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 155' ' ' THR . . . . . 0.491 ' N ' ' OD2' ' B' ' 158' ' ' ASP . 7.3 p -107.48 159.59 16.29 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.681 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' B' ' 159' ' ' TYR . 48.2 mt -52.61 -47.46 66.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.589 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 157' ' ' SER . . . . . 0.496 ' C ' ' H ' ' B' ' 159' ' ' TYR . 22.8 p -45.05 -31.72 1.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . 0.491 ' OD2' ' N ' ' B' ' 155' ' ' THR . 11.7 m-20 -66.96 6.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.7 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . 0.496 ' H ' ' C ' ' B' ' 157' ' ' SER . 78.4 m-85 -140.64 20.37 2.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.517 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 41.14 40.23 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 84.6 mt -82.73 105.0 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.305 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -81.53 -162.56 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.723 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -80.58 161.62 24.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.648 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 56.0 33.34 21.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.748 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 39.9 m -87.89 127.56 35.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.551 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 8.6 m -91.59 100.48 13.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.524 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.6 mt -82.09 164.01 21.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.455 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 168' ' ' HIS . . . . . 0.638 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.2 OUTLIER -115.72 100.66 8.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.282 179.802 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 66.5 tp -80.66 145.34 31.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.717 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.2 t -147.05 138.04 17.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.266 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . 0.45 ' N ' ' CD1' ' B' ' 171' ' ' LEU . 8.2 mp -82.24 110.1 17.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.503 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . 0.489 ' HE ' ' N ' ' B' ' 175' ' ' GLY . 49.5 ttt180 -62.72 112.71 2.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.302 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 10.2 mt -81.54 72.87 8.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.605 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 45.71 94.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.658 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 175' ' ' GLY . . . . . 0.489 ' N ' ' HE ' ' B' ' 172' ' ' ARG . . . -87.26 -158.22 32.25 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.649 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 201' ' ' MET . . . . . 0.534 ' N ' ' O ' ' C' ' 217' ' ' VAL . 33.1 ttp . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -89.97 115.18 27.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.728 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 11.7 pt -110.15 144.6 17.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.422 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -95.13 140.94 29.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.728 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 49.4 t -129.73 110.78 20.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.469 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -93.0 133.22 36.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.611 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 46.6 p -91.67 -163.45 1.04 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.359 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 208' ' ' LEU . . . . . 0.617 ' N ' ' CD1' ' C' ' 208' ' ' LEU . 1.6 mp -100.94 24.7 8.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.491 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 1.7 p -136.61 -0.82 2.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.533 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 94.36 27.96 11.22 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -103.19 110.84 22.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.324 . . . . 0.0 110.5 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 54.9 m -103.07 105.17 15.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.611 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 213' ' ' ILE . . . . . 0.44 HG23 ' H ' ' C' ' 214' ' ' THR . 0.6 OUTLIER -88.31 -179.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.152 179.794 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 214' ' ' THR . . . . . 0.44 ' H ' HG23 ' C' ' 213' ' ' ILE . 98.0 m -142.18 96.12 2.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.067 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 215' ' ' LEU . . . . . 0.582 ' CD2' ' N ' ' C' ' 215' ' ' LEU . 2.9 mm? -92.71 128.73 38.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.96 0.409 . . . . 0.0 110.967 -179.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -87.07 121.32 29.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.011 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 217' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' C' ' 201' ' ' MET . 33.7 m -149.64 -165.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 0.0 110.96 -179.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 218' ' ' GLU . . . . . 0.533 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 2.0 mt-10 -141.08 148.76 53.16 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.719 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.02 -27.13 4.03 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.412 2.075 . . . . 0.0 112.471 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.18 13.59 12.88 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 121.009 -0.277 . . . . 0.0 111.024 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 221' ' ' ASP . . . . . 0.533 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 1.2 m-20 -86.14 135.76 33.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.44 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 222' ' ' THR . . . . . 0.527 ' OG1' ' ND2' ' C' ' 225' ' ' ASN . 7.2 p -83.71 133.57 34.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.721 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 223' ' ' ILE . . . . . 0.421 HD11 HG21 ' C' ' 223' ' ' ILE . 28.5 mm -40.55 -42.47 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.455 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -56.21 -45.12 80.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.407 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 225' ' ' ASN . . . . . 0.576 ' N ' HD21 ' C' ' 225' ' ' ASN . 0.8 OUTLIER -60.72 -39.97 90.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.07 179.609 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 11.9 t -60.86 -44.55 97.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.074 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 227' ' ' LYS . . . . . 0.437 ' O ' ' OE1' ' C' ' 241' ' ' GLN . 74.1 mttt -56.74 -43.4 80.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.117 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -58.54 -44.17 89.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.232 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -58.96 -44.61 91.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.373 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 20.9 mt -61.49 -34.11 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.22 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -65.61 -35.56 81.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.218 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -72.34 -25.61 61.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.559 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 44.8 mmtt -83.6 -65.79 0.97 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.505 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -81.76 -88.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.501 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 159.98 8.64 0.05 OUTLIER Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 236' ' ' ILE . . . . . 0.52 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 49.2 mt -77.05 130.4 75.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -54.61 146.1 55.69 Favored 'Trans proline' 0 C--N 1.315 -1.225 0 C-N-CA 121.673 1.582 . . . . 0.0 111.632 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -51.96 -34.79 57.96 Favored 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 122.134 1.889 . . . . 0.0 111.75 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 239' ' ' ASP . . . . . 0.515 ' OD1' ' NH2' ' C' ' 272' ' ' ARG . 32.2 t70 -67.08 -44.74 79.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.656 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -82.1 39.81 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.686 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 241' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 78.7 mt-30 -134.49 73.7 1.5 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.749 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 242' ' ' ARG . . . . . 0.499 ' NE ' ' OE1' ' C' ' 249' ' ' GLN . 20.5 ttm180 -89.99 119.17 30.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.177 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 15.8 mt -96.93 132.99 42.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.016 0.436 . . . . 0.0 110.895 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.6 mt -128.2 123.07 59.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.11 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 245' ' ' PHE . . . . . 0.46 ' CZ ' ' OD1' ' A' ' 25' ' ' ASP . 57.5 t80 -114.54 76.52 1.0 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.942 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 246' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' C' ' 248' ' ' LYS . . . 71.78 89.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.685 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 247' ' ' GLY . . . . . 0.444 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 39.41 27.19 0.08 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 248' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' C' ' 246' ' ' ALA . 16.2 mmtm -131.82 97.5 4.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.83 0.348 . . . . 0.0 110.505 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 249' ' ' GLN . . . . . 0.499 ' OE1' ' NE ' ' C' ' 242' ' ' ARG . 9.3 tt0 -73.13 125.95 28.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.27 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 11.4 mt -80.83 131.65 35.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.729 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -79.31 159.93 27.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.439 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.94 -20.61 38.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.743 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -102.47 38.35 3.24 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -139.14 174.18 10.78 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 33.0 p -115.65 164.77 13.85 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.911 0.386 . . . . 0.0 110.812 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 79.8 mt -60.59 -39.05 86.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.684 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 257' ' ' SER . . . . . . . . . . . . . 5.0 t -58.15 -44.02 87.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.728 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -47.71 -38.4 15.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.659 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -93.59 23.47 4.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.757 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 30.9 t30 46.64 26.05 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 84.2 mt -73.6 102.9 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.349 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -85.15 -157.04 0.28 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -82.86 161.81 21.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.783 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 50.23 32.52 6.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.547 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 38.7 m -91.89 131.47 37.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.614 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 25.7 m -77.83 147.65 35.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.289 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 9.9 mt -139.23 123.31 17.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.652 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 268' ' ' HIS . . . . . 0.791 ' HD1' ' H ' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -78.84 105.57 10.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.235 179.816 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 61.2 tp -83.11 144.53 29.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.889 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 2.1 t -144.36 156.09 15.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.248 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 271' ' ' LEU . . . . . 0.44 ' CD1' ' N ' ' C' ' 271' ' ' LEU . 7.1 mp -99.1 92.72 5.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.328 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 272' ' ' ARG . . . . . 0.515 ' NH2' ' OD1' ' C' ' 239' ' ' ASP . 29.1 ttp180 -46.19 112.09 0.44 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.637 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 273' ' ' LEU . . . . . 0.464 ' CD2' ' HE2' ' D' ' 344' ' ' HIS . 33.8 mt -82.39 137.23 34.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.498 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 75.4 mtt85 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.545 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.825 0.345 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -81.3 92.96 6.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.591 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 11.1 mt -95.2 44.38 1.09 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.544 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 59.8 p -83.23 3.49 30.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.694 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -146.17 72.86 1.31 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.603 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -130.18 167.02 19.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.406 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -114.73 165.55 12.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.732 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 320' ' ' TYR . . . . . 0.406 ' OH ' ' NH1' ' D' ' 324' ' ' ARG . 13.2 t80 -61.46 -48.91 78.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.506 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 321' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' D' ' 325' ' ' ASP . . . -61.9 -43.91 97.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.761 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 322' ' ' GLU . . . . . 0.417 ' O ' ' OG1' ' D' ' 326' ' ' THR . 94.1 mt-10 -57.34 -54.92 41.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.718 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 14.5 mt -57.33 -59.41 5.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.773 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 324' ' ' ARG . . . . . 0.473 ' O ' ' ND2' ' D' ' 328' ' ' ASN . 8.7 tpt180 -55.43 -50.1 70.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.7 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 325' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' D' ' 329' ' ' THR . 19.6 t70 -58.42 -48.54 80.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.73 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 326' ' ' THR . . . . . 0.527 ' O ' ' N ' ' D' ' 330' ' ' SER . 64.7 m -55.4 -42.45 74.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.574 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 327' ' ' ILE . . . . . 0.411 HG22 HD11 ' D' ' 327' ' ' ILE . 82.5 mt -72.41 -35.66 52.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 328' ' ' ASN . . . . . 0.632 ' N ' HD21 ' D' ' 328' ' ' ASN . 0.8 OUTLIER -81.69 -20.55 39.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.939 -179.688 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.501 ' N ' ' O ' ' D' ' 325' ' ' ASP . 72.7 p -105.63 -51.03 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.848 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 330' ' ' SER . . . . . 0.527 ' N ' ' O ' ' D' ' 326' ' ' THR . 1.0 OUTLIER -72.6 -179.52 3.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.012 0.434 . . . . 0.0 110.939 -179.572 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 331' ' ' CYS . . . . . 0.444 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 9.1 p -149.96 12.65 0.77 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.199 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -73.4 93.73 1.98 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.623 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 2.9 mt -38.96 -40.1 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.731 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -57.42 -55.96 28.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.268 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 335' ' ' LEU . . . . . 0.488 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 10.1 mt -60.81 -37.79 83.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.145 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 92.5 mt -56.65 -43.27 80.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.167 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -68.29 -49.03 63.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.435 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.98 96.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.458 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 339' ' ' CYS . . . . . 0.488 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 72.2 m -59.48 -53.34 59.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.225 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 14.0 mtp85 -56.07 -39.18 71.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.366 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -58.93 -52.95 63.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.664 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 342' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -71.2 -36.41 71.91 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.505 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -59.31 -35.41 73.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.351 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 344' ' ' HIS . . . . . 0.464 ' HE2' ' CD2' ' C' ' 273' ' ' LEU . 34.3 m170 -79.38 -52.77 7.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.241 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.08 -42.37 13.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.044 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 9.0 mtp85 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.368 179.804 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.792 0.329 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -79.23 92.79 5.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.619 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -102.67 38.35 1.73 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.413 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.8 t -78.15 11.18 2.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.709 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.7 pttt -161.23 81.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 0.0 110.758 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -133.49 163.69 28.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.142 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -105.05 157.75 17.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.609 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 29.3 t80 -59.68 -47.53 85.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.51 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.78 -41.72 98.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.544 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -60.01 -55.67 31.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.519 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.8 mt -54.38 -59.66 4.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.324 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.665 ' NH1' HD22 ' A' ' 28' ' ' ASN . 9.1 tpt85 -54.55 -52.68 61.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.322 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' THR . 5.9 t70 -52.38 -51.57 58.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.32 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.545 ' O ' ' N ' ' A' ' 30' ' ' SER . 74.6 m -52.1 -45.09 64.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.346 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.5 mt -70.32 -22.76 24.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.413 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.68 HD21 ' N ' ' A' ' 28' ' ' ASN . 0.7 OUTLIER -99.29 -2.73 35.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.837 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 25' ' ' ASP . 21.4 p -133.59 -4.94 2.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.988 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.545 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.6 t -122.73 145.97 47.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.941 0.4 . . . . 0.0 110.831 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.597 ' SG ' ' CG ' ' B' ' 168' ' ' HIS . 14.5 t -120.66 30.08 7.1 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.351 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.5 94.37 9.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.355 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.4 mt -39.79 -41.17 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.863 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -57.22 -59.15 5.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.454 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.425 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 13.0 mt -57.84 -46.7 84.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.976 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.8 mt -50.73 -42.8 57.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.329 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.48 -48.98 70.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.338 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.51 -46.41 90.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.379 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 52.9 m -59.81 -53.56 56.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.239 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.2 mtp85 -52.58 -41.43 63.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.311 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -59.73 -62.82 1.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.633 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -59.86 -37.99 80.86 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.694 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -54.85 -51.9 64.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.714 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.488 ' HE2' ' CD2' ' B' ' 173' ' ' LEU . 11.5 m-70 -64.97 -47.58 77.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.456 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -45.64 -47.48 14.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.079 0.466 . . . . 0.0 109.836 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -55.82 -34.93 65.81 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.424 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 44' ' ' HIS . 6.7 mp -76.85 -28.3 55.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.178 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.9 tttp -72.79 -66.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.628 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.5 p -88.48 166.16 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.409 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.492 ' N ' ' CD1' ' A' ' 50' ' ' TYR . 6.9 p90 -151.18 74.48 1.15 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.533 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.617 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.541 ' N ' ' O ' ' B' ' 117' ' ' VAL . 32.0 ttp . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -111.97 144.44 41.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.439 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 18.5 pt -146.98 145.86 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.716 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -99.67 153.28 19.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.614 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 16.7 t -136.15 107.01 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.37 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -95.25 133.93 38.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.537 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 34.6 p -96.11 -172.84 2.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.44 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.624 ' CD2' ' H ' ' B' ' 108' ' ' LEU . 0.5 OUTLIER -84.05 23.27 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.396 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 15.4 p -136.54 8.09 3.08 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.527 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.96 7.36 88.01 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.524 ' HZ2' ' CD ' ' B' ' 134' ' ' GLU . 76.5 tttt -79.36 114.9 18.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.75 0.31 . . . . 0.0 110.504 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 21.7 m -99.64 144.56 28.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.59 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 1.2 mt -133.59 125.59 50.18 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.449 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 8.3 m -92.53 99.66 12.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.57 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 10.8 mp -99.31 145.91 26.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.619 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -102.39 122.47 44.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.169 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . 0.541 ' O ' ' N ' ' B' ' 101' ' ' MET . 14.3 m -147.49 -165.87 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.938 0.399 . . . . 0.0 110.828 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -144.29 149.18 43.87 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.027 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -47.25 -15.79 0.3 Allowed 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.579 2.186 . . . . 0.0 112.642 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' SER . . . . . 0.436 ' H ' ' HG ' ' B' ' 120' ' ' SER . 1.4 p -100.25 13.79 33.11 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 121.064 -0.255 . . . . 0.0 111.205 -179.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -86.65 136.43 33.04 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.424 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' THR . . . . . 0.523 ' HG1' ' H ' ' B' ' 125' ' ' ASN . 19.7 p -82.71 130.87 35.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.64 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 31.5 mm -40.68 -45.0 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.452 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -55.69 -39.29 70.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.113 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.525 ' C ' HD21 ' B' ' 125' ' ' ASN . 0.1 OUTLIER -63.74 -38.58 91.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.097 179.487 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 27.0 t -64.18 -45.59 95.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.119 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . 0.664 ' HZ2' ' H ' ' B' ' 143' ' ' LEU . 42.2 mttm -56.45 -38.23 71.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.101 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.76 94.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.255 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -60.09 -45.25 93.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.419 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 66.2 mt -62.5 -46.37 96.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.327 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . 0.431 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.5 OUTLIER -55.18 -30.26 59.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.335 179.833 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -78.56 -24.25 45.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.506 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -82.58 -60.4 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.556 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . 0.524 ' CD ' ' HZ2' ' B' ' 111' ' ' LYS . 15.7 mm-40 -86.55 -107.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.538 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -171.39 11.91 0.04 OUTLIER Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 27.3 mt -85.79 115.25 60.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.15 154.57 56.63 Favored 'Trans proline' 0 C--N 1.314 -1.242 0 C-N-CA 121.485 1.457 . . . . 0.0 111.63 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -46.71 -64.13 0.27 Allowed 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.454 2.102 . . . . 0.0 111.864 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' B' ' 139' ' ' ASP . 11.0 t0 -44.57 -21.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.691 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.439 ' N ' ' C ' ' B' ' 138' ' ' PRO . 75.9 mt-30 -104.37 33.71 3.4 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.611 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' B' ' 138' ' ' PRO . 70.7 mt-30 -134.34 158.94 42.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.474 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . 0.666 HH12 ' ND2' ' A' ' 28' ' ' ASN . 20.4 ttt180 -170.26 108.32 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.231 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . 0.664 ' H ' ' HZ2' ' B' ' 127' ' ' LYS . 15.2 mt -89.96 130.77 36.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.116 0.484 . . . . 0.0 111.035 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.7 mt -125.82 141.93 44.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.149 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -149.35 105.2 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.779 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 69.7 68.97 0.24 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.688 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 39.92 32.36 0.35 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -136.8 118.08 14.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.773 0.321 . . . . 0.0 110.668 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . 0.581 HE22 ' NH2' ' B' ' 142' ' ' ARG . 8.4 tt0 -79.61 127.89 32.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.07 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 12.9 mt -78.19 114.95 17.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.362 . . . . 0.0 110.768 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . 0.574 ' H ' ' HH ' ' B' ' 159' ' ' TYR . 50.1 mt-10 -57.51 160.77 3.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.697 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -85.75 -29.56 23.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.709 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -95.13 38.17 3.2 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 14.0 mmt85 -139.48 174.3 10.66 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 28.5 p -111.65 172.4 6.92 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.873 0.368 . . . . 0.0 110.793 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.6 -46.84 77.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.609 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 157' ' ' SER . . . . . 0.519 ' C ' ' H ' ' B' ' 159' ' ' TYR . 13.0 p -52.94 -32.25 44.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -68.98 10.94 0.23 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.761 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . 0.574 ' HH ' ' H ' ' B' ' 151' ' ' GLU . 62.0 m-85 -140.67 15.61 2.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.642 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . 0.406 ' N ' HD21 ' B' ' 160' ' ' ASN . 1.6 m-80 53.46 27.49 6.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.702 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 93.0 mt -79.17 96.06 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.43 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -79.95 -157.39 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.652 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 6.7 ptp85 -82.26 160.29 22.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.713 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 55.46 28.37 11.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.645 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 39.6 m -82.67 130.07 35.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.589 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 9.9 m -84.85 114.95 22.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.493 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 11.7 mt -102.34 128.67 48.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.944 0.402 . . . . 0.0 110.699 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 168' ' ' HIS . . . . . 0.687 ' N ' ' HD1' ' B' ' 168' ' ' HIS . 0.2 OUTLIER -86.89 103.44 15.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.129 179.708 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . 0.403 HD12 ' H ' ' B' ' 170' ' ' VAL . 54.9 tp -83.01 136.45 34.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.899 0.38 . . . . 0.0 110.855 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 170' ' ' VAL . . . . . 0.403 ' H ' HD12 ' B' ' 169' ' ' LEU . 2.3 t -139.93 139.57 37.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.326 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . 0.436 ' N ' ' CD1' ' B' ' 171' ' ' LEU . 8.4 mp -79.08 109.76 13.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.636 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -60.54 110.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.556 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 173' ' ' LEU . . . . . 0.488 ' CD2' ' HE2' ' A' ' 44' ' ' HIS . 13.2 mt -87.82 47.14 1.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.502 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 174' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' B' ' 173' ' ' LEU . 94.6 mtt180 56.51 158.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.543 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . -178.06 -128.38 1.16 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 201' ' ' MET . . . . . . . . . . . . . 1.3 ptt? . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -92.84 110.21 21.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.574 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 26.3 pt -102.2 154.56 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.651 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -100.46 149.96 23.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.598 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 68.8 t -136.94 106.84 5.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.263 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -91.48 135.18 34.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.605 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 207' ' ' THR . . . . . 0.463 ' O ' ' N ' ' C' ' 210' ' ' GLY . 32.8 p -102.48 175.82 5.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.446 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 208' ' ' LEU . . . . . 0.723 ' CD2' ' H ' ' C' ' 208' ' ' LEU . 0.0 OUTLIER -46.55 -55.41 7.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.236 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 6.4 p -62.0 -8.24 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.585 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 210' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' C' ' 207' ' ' THR . . . 89.18 13.37 62.05 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -70.29 117.65 12.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 110.541 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 10.3 m -90.08 138.97 31.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.652 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 1.8 mt -132.88 125.18 51.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.5 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 20.5 m -89.69 130.89 35.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.284 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 32.8 mt -130.22 123.35 29.97 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.844 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -80.81 79.54 7.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.273 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 217' ' ' VAL . . . . . . . . . . . . . 15.5 m -104.4 176.43 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.965 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 218' ' ' GLU . . . . . 0.482 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 3.3 mm-40 -120.62 176.6 1.77 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.614 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -75.11 -32.89 4.89 Favored 'Trans proline' 0 C--N 1.311 -1.431 0 C-N-CA 122.376 2.05 . . . . 0.0 112.015 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 2.1 p -80.43 -8.37 59.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.517 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 221' ' ' ASP . . . . . 0.482 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 19.6 m-20 -60.72 133.71 56.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.426 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 18.2 p -86.58 140.87 29.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.732 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 223' ' ' ILE . . . . . 0.418 HD11 HG23 ' C' ' 223' ' ' ILE . 21.7 mm -44.48 -51.91 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.466 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -50.08 -38.65 39.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.279 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 225' ' ' ASN . . . . . 0.493 ' C ' HD21 ' C' ' 225' ' ' ASN . 0.2 OUTLIER -61.93 -48.21 81.46 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.435 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 42.8 t -55.18 -46.93 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -53.86 -34.51 59.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.79 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -64.9 -44.3 90.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.97 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -59.03 -39.78 83.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.076 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 18.2 mt -69.49 -25.4 28.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.103 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -71.6 -33.82 69.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.208 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -76.65 -33.42 58.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.468 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 20.7 mmtm -76.25 -60.9 2.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.456 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -83.85 -90.25 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.513 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 158.54 10.18 0.05 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 236' ' ' ILE . . . . . 0.525 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 30.1 mt -80.33 130.6 64.88 Favored Pre-proline 0 C--N 1.33 -0.263 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -55.38 144.79 70.87 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 121.707 1.605 . . . . 0.0 111.555 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -52.61 -31.66 50.7 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 122.075 1.85 . . . . 0.0 111.775 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 239' ' ' ASP . . . . . 0.499 ' C ' ' H ' ' C' ' 241' ' ' GLN . 16.8 t0 -70.78 -53.79 14.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.664 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -71.76 41.63 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.747 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 241' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 60.5 mt-30 -134.51 162.6 31.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 242' ' ' ARG . . . . . . . . . . . . . 29.5 ttm-85 -170.34 144.59 2.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.164 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 15.3 mt -127.08 138.19 53.16 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.165 0.507 . . . . 0.0 111.066 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 2.1 mt -129.76 121.12 51.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.96 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 245' ' ' PHE . . . . . 0.434 ' CE1' ' OD2' ' A' ' 25' ' ' ASP . 70.4 t80 -108.84 72.04 0.8 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.876 0.37 . . . . 0.0 111.064 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 62.07 87.07 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.004 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 247' ' ' GLY . . . . . 0.647 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 54.92 24.48 34.43 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 23.3 mmtm -129.78 89.71 2.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.69 0.281 . . . . 0.0 110.57 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -71.88 113.6 9.09 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 9.7 mt -76.81 131.14 38.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.944 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -86.78 158.46 19.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.428 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.87 -0.92 29.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.939 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -123.03 40.33 2.03 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 36.9 mmt-85 -139.52 178.31 7.3 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 255' ' ' THR . . . . . 0.482 ' HG1' ' H ' ' C' ' 258' ' ' ASP . 26.5 p -120.92 157.76 29.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.585 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.47 -12.29 14.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.633 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 257' ' ' SER . . . . . . . . . . . . . 33.0 t -85.04 -40.92 16.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.406 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 258' ' ' ASP . . . . . 0.482 ' H ' ' HG1' ' C' ' 255' ' ' THR . 17.2 m-20 -49.56 -41.94 42.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.496 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -85.9 -2.47 58.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.604 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 2.0 m120 64.79 38.77 6.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 87.5 mt -81.12 111.34 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.338 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 262' ' ' GLN . . . . . 0.417 ' O ' ' OG ' ' C' ' 265' ' ' SER . 24.8 mt-30 -83.04 -160.7 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -85.68 160.66 19.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.951 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 54.97 26.71 8.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.865 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 265' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' C' ' 262' ' ' GLN . 1.8 m -83.52 137.8 33.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.39 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 4.3 m -84.48 116.74 23.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.652 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 4.7 mp -108.99 124.53 50.85 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.366 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 268' ' ' HIS . . . . . 0.725 ' N ' ' HD1' ' C' ' 268' ' ' HIS . 0.1 OUTLIER -84.04 113.28 20.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.344 179.816 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 11.5 tp -84.09 142.15 30.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.873 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 1.9 t -147.0 137.28 17.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.13 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 271' ' ' LEU . . . . . 0.618 ' CD2' ' N ' ' C' ' 271' ' ' LEU . 0.3 OUTLIER -92.69 109.25 20.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.703 -179.669 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -63.3 113.77 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.555 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 273' ' ' LEU . . . . . 0.523 ' O ' ' NH1' ' D' ' 324' ' ' ARG . 13.4 mt -80.32 126.81 31.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.544 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.457 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.84 0.352 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -79.21 92.79 5.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.511 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 14.0 mt -90.64 40.44 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.617 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 25.0 t -90.75 17.02 8.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.666 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -147.87 43.01 1.06 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.59 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 17.5 m95 -112.13 179.07 4.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.604 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -132.42 168.37 18.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.503 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 320' ' ' TYR . . . . . 0.424 ' CD1' ' C ' ' D' ' 320' ' ' TYR . 15.2 t80 -59.17 -47.3 85.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.576 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -58.31 -52.03 67.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.834 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 322' ' ' GLU . . . . . 0.431 ' O ' ' OG1' ' D' ' 326' ' ' THR . 83.7 mt-10 -56.33 -56.26 23.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.851 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 14.0 mt -56.79 -56.13 25.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.7 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 324' ' ' ARG . . . . . 0.523 ' NH1' ' O ' ' C' ' 273' ' ' LEU . 6.1 tpt180 -53.04 -46.24 68.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.566 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 325' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' D' ' 329' ' ' THR . 15.7 m-20 -62.6 -48.11 80.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.483 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 326' ' ' THR . . . . . 0.512 ' O ' ' N ' ' D' ' 330' ' ' SER . 6.5 m -53.07 -45.84 68.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.756 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 91.3 mt -75.57 -24.78 17.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 328' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' D' ' 324' ' ' ARG . 2.0 m-80 -95.9 -0.79 50.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.06 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.467 ' N ' ' O ' ' D' ' 325' ' ' ASP . 57.8 p -136.72 -41.79 0.61 Allowed 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 121.048 -0.261 . . . . 0.0 111.349 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 330' ' ' SER . . . . . 0.512 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.5 OUTLIER -76.32 168.58 19.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.177 0.513 . . . . 0.0 111.408 -179.2 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 331' ' ' CYS . . . . . 0.647 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 27.8 p -146.77 88.44 1.76 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.431 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -161.61 100.92 1.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.377 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 1.9 mt -38.8 -43.63 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.817 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -55.78 -58.97 5.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.442 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 335' ' ' LEU . . . . . 0.484 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 9.7 mt -60.5 -52.65 64.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.158 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 28.3 mt -50.59 -46.65 58.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.536 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.35 78.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.467 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.22 -42.23 96.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.341 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 339' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 69.8 m -58.34 -50.74 72.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.289 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 340' ' ' ARG . . . . . 0.405 ' NH2' ' CE1' ' D' ' 344' ' ' HIS . 19.0 mtp-105 -61.8 -38.87 89.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.526 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -56.65 -57.41 12.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.684 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 342' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -63.42 -33.08 74.78 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.618 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -63.21 -40.01 96.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.246 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 344' ' ' HIS . . . . . 0.405 ' CE1' ' NH2' ' D' ' 340' ' ' ARG . 13.4 m170 -70.78 -50.33 36.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.199 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -51.09 -47.65 61.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.429 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 69.1 mtt-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.882 -179.948 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.738 0.304 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -79.75 92.71 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.413 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.3 mt -107.6 45.28 1.01 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.529 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.0 t -84.6 3.51 36.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.62 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -147.46 71.49 1.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.67 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -129.12 165.47 21.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.412 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.87 169.21 9.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.586 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.522 ' OH ' ' NH1' ' A' ' 24' ' ' ARG . 37.5 t80 -65.65 -47.09 76.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.487 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.86 -35.92 79.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.739 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -68.01 -54.96 14.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.697 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.2 mt -56.25 -58.39 8.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.613 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.522 ' NH1' ' OH ' ' A' ' 20' ' ' TYR . 6.8 tpt180 -53.22 -53.37 51.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.486 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.472 ' OD1' ' CZ ' ' C' ' 245' ' ' PHE . 46.4 t0 -53.41 -50.77 64.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.47 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.573 ' O ' ' N ' ' A' ' 30' ' ' SER . 86.8 m -52.14 -50.1 62.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.594 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.434 HG23 HD12 ' A' ' 27' ' ' ILE . 96.5 mt -66.75 -23.89 31.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.605 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.51 ' OD1' ' NH1' ' B' ' 142' ' ' ARG . 1.9 m-80 -95.15 -6.53 41.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.062 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 19.6 p -130.12 -5.96 4.4 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.189 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.573 ' N ' ' O ' ' A' ' 26' ' ' THR . 6.3 t -111.3 156.92 20.8 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.002 0.43 . . . . 0.0 111.06 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.42 ' SG ' ' C ' ' B' ' 147' ' ' GLY . 36.5 m -132.67 33.89 3.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.392 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -103.83 100.56 10.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.669 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.4 mt -43.7 -35.53 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.55 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -61.52 -58.99 5.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.279 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.488 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 11.4 mt -56.77 -44.32 81.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.928 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -54.46 -42.67 70.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.469 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.27 -49.11 70.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.567 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.49 92.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.43 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.488 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 78.3 m -57.19 -53.61 56.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.219 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.1 mtp-105 -54.56 -45.45 73.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.316 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -53.22 -62.69 1.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.745 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 43' ' ' PHE . 3.8 pt-20 -61.07 -42.05 97.78 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.506 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.432 ' N ' ' CG ' ' A' ' 42' ' ' GLU . 16.4 t80 -52.57 -43.0 64.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.915 0.388 . . . . 0.0 110.145 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -68.84 -45.25 71.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.313 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 49' ' ' VAL . 29.2 mtt85 -49.52 -52.74 27.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.369 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' A' ' 50' ' ' TYR . 1.8 mpt_? -45.94 -34.11 3.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.241 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.1 mt -85.88 -60.29 2.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.474 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -46.61 -46.14 19.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.59 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 45' ' ' ARG . 7.6 p -144.09 160.06 15.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.614 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.434 ' O ' ' O ' ' A' ' 46' ' ' ARG . 47.7 t80 55.45 107.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.564 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.465 ' OXT' ' ND1' ' A' ' 51' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.595 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -96.36 120.0 35.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.65 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 17.5 pt -109.33 147.54 13.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.641 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -99.71 141.75 32.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.647 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 94.7 t -127.49 113.73 33.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.412 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -92.74 136.83 32.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.769 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 38.1 p -90.83 -150.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.374 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.598 ' CD2' ' H ' ' B' ' 108' ' ' LEU . 0.4 OUTLIER -87.2 -52.91 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.495 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 19.3 p -56.26 -47.56 78.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.507 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 142.66 5.69 0.77 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -72.29 133.94 45.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.678 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.9 m -108.36 145.78 33.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.464 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 3.8 mt -130.65 128.6 63.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.642 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 21.9 m -97.55 115.18 27.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.301 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 33.1 mt -121.29 134.93 55.17 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.873 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -80.81 127.44 32.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.142 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 15.7 m -147.7 179.77 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.371 . . . . 0.0 110.918 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.519 ' C ' ' H ' ' B' ' 120' ' ' SER . 36.0 mt-10 -135.97 148.85 66.61 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.211 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -48.56 -7.01 0.05 OUTLIER 'Trans proline' 0 C--N 1.31 -1.476 0 C-N-CA 122.626 2.218 . . . . 0.0 112.521 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' SER . . . . . 0.519 ' H ' ' C ' ' B' ' 118' ' ' GLU . 2.6 p -102.48 -19.49 14.89 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.992 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . 0.485 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 9.2 m-20 -53.58 138.48 34.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.981 0.419 . . . . 0.0 110.74 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' THR . . . . . 0.446 ' O ' ' N ' ' B' ' 125' ' ' ASN . 17.8 p -90.4 134.02 34.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.538 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 27.3 mm -40.96 -45.34 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.549 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -55.46 -41.95 73.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.232 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.693 HD21 ' NZ ' ' B' ' 129' ' ' LYS . 19.1 t30 -61.37 -37.49 83.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.159 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 27.2 t -64.56 -52.44 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.99 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -49.75 -38.62 34.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.085 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.29 -45.25 88.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.218 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.693 ' NZ ' HD21 ' B' ' 125' ' ' ASN . 42.9 mttp -55.92 -41.19 74.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.141 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 6.1 mt -66.75 -37.53 79.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.245 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -62.01 -25.31 67.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.344 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -84.52 -31.72 24.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.687 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -78.76 -65.39 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.628 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -80.47 -105.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.671 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -176.52 16.44 0.04 OUTLIER Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.517 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 23.5 mt -93.49 112.0 54.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -63.46 154.56 67.8 Favored 'Trans proline' 0 C--N 1.313 -1.293 0 C-N-CA 121.59 1.527 . . . . 0.0 111.794 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.53 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -46.84 -66.05 0.16 Allowed 'Trans proline' 0 C--N 1.31 -1.499 0 C-N-CA 122.593 2.195 . . . . 0.0 112.016 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -42.55 -20.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.696 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' B' ' 138' ' ' PRO . 27.6 mt-30 -110.88 35.33 3.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.542 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' B' ' 138' ' ' PRO . 54.2 mt-30 -134.34 168.03 19.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.501 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . 0.678 HH21 ' NE2' ' B' ' 149' ' ' GLN . 16.2 ttt85 -170.21 130.18 0.93 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.179 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 16.3 mt -112.39 133.54 54.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.046 0.451 . . . . 0.0 110.954 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.6 mt -127.16 134.18 66.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.238 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -158.52 144.96 17.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.503 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 69.6 19.31 7.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . 0.42 ' C ' ' SG ' ' A' ' 31' ' ' CYS . . . 76.66 21.41 74.8 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -145.13 152.09 39.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.748 0.309 . . . . 0.0 110.753 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . 0.678 ' NE2' HH21 ' B' ' 142' ' ' ARG . 23.3 tt0 -80.07 142.74 34.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.328 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 15.8 mt -91.42 141.69 28.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.831 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -79.1 160.9 26.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.44 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.85 -24.39 26.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -102.91 41.74 2.06 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -139.72 168.71 19.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.732 0.301 . . . . 0.0 110.355 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 6.2 p -108.79 161.84 14.74 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.723 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 57.0 mt -59.32 -31.84 69.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 157' ' ' SER . . . . . 0.533 ' C ' ' H ' ' B' ' 159' ' ' TYR . 6.9 t -65.76 -32.23 73.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.991 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -70.62 14.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.858 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . 0.533 ' H ' ' C ' ' B' ' 157' ' ' SER . 60.6 m-85 -140.65 7.66 2.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.603 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 59.61 27.35 16.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.566 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 95.8 mt -77.23 107.49 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.509 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -86.45 -169.71 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.616 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -73.44 160.36 31.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.804 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 56.66 29.24 15.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.696 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 33.0 m -81.9 129.22 34.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.432 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 3.9 m -91.99 106.58 18.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.68 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 2.1 mp -98.31 153.43 18.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.627 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 168' ' ' HIS . . . . . 0.653 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -98.77 123.59 43.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.054 179.778 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 21.3 tp -101.48 118.51 37.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.442 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 1.7 t -123.92 141.0 45.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.33 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . 0.456 ' N ' ' CD1' ' B' ' 171' ' ' LEU . 8.3 mp -82.31 113.8 20.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.637 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -62.96 102.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.53 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 18.3 mt -76.62 174.65 10.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.451 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 31.0 mtm180 -152.78 138.91 18.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.525 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . -165.67 9.75 0.07 OUTLIER Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.942 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 201' ' ' MET . . . . . 0.527 ' N ' ' O ' ' C' ' 217' ' ' VAL . 28.9 ttp . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 202' ' ' GLN . . . . . 0.411 ' N ' ' CG ' ' C' ' 201' ' ' MET . 62.7 mt-30 -129.96 129.91 44.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.458 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 6.4 pt -136.12 151.19 28.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.76 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -98.09 153.89 18.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.369 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 77.5 t -137.41 102.47 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.233 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 206' ' ' LYS . . . . . 0.519 ' NZ ' ' OG1' ' C' ' 212' ' ' THR . 16.6 mttp -86.07 135.27 33.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.551 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 40.6 p -101.54 -172.05 2.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.329 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 208' ' ' LEU . . . . . 0.587 ' N ' ' CD2' ' C' ' 208' ' ' LEU . 2.1 mm? -75.4 -28.72 59.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.256 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 9.8 p -82.11 4.08 24.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.53 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 78.66 28.01 55.85 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -93.53 115.71 28.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.74 0.305 . . . . 0.0 110.651 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 212' ' ' THR . . . . . 0.519 ' OG1' ' NZ ' ' C' ' 206' ' ' LYS . 17.1 m -95.61 107.83 20.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.461 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 1.4 mt -99.65 125.17 53.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.67 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 4.1 m -93.38 107.14 19.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.088 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 19.6 mt -110.61 143.76 40.53 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.959 0.409 . . . . 0.0 111.093 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 216' ' ' GLU . . . . . 0.457 ' N ' ' CD ' ' C' ' 216' ' ' GLU . 5.3 mp0 -96.71 126.75 42.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.173 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 217' ' ' VAL . . . . . 0.527 ' O ' ' N ' ' C' ' 201' ' ' MET . 16.5 m -147.61 -166.71 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.73 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 218' ' ' GLU . . . . . 0.521 ' OE2' ' N ' ' C' ' 201' ' ' MET . 36.5 mm-40 -143.9 148.95 44.36 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.064 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -47.83 -34.89 22.96 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.451 2.101 . . . . 0.0 112.434 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 220' ' ' SER . . . . . 0.441 ' H ' ' HG ' ' C' ' 220' ' ' SER . 0.5 OUTLIER -82.05 13.92 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.232 -179.353 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 221' ' ' ASP . . . . . 0.435 ' OD2' ' N ' ' C' ' 218' ' ' GLU . 34.7 m-20 -89.9 135.75 33.45 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.91 0.385 . . . . 0.0 110.324 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 222' ' ' THR . . . . . 0.425 ' OG1' ' OD1' ' C' ' 225' ' ' ASN . 4.2 p -83.2 138.84 33.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.999 -179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 223' ' ' ILE . . . . . 0.437 HG21 HD12 ' C' ' 223' ' ' ILE . 29.9 mm -46.59 -38.7 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.282 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -58.68 -44.55 90.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.372 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 225' ' ' ASN . . . . . 0.425 ' OD1' ' OG1' ' C' ' 222' ' ' THR . 21.0 m120 -61.23 -37.16 82.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.057 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 47.6 t -63.91 -53.81 39.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.138 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 29.3 mttp -49.29 -40.99 36.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.181 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -61.39 -44.86 96.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.298 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -57.04 -43.15 81.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.31 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 5.0 mt -61.85 -51.25 74.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.198 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -51.23 -30.89 18.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.225 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 232' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' C' ' 232' ' ' ASP . 61.7 t0 -75.66 -27.02 58.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.57 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt -82.14 -64.08 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.498 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -86.97 -109.28 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.506 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -169.12 12.29 0.05 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 236' ' ' ILE . . . . . 0.509 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 43.2 mt -81.3 114.92 53.05 Favored Pre-proline 0 C--N 1.329 -0.3 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -64.42 150.06 88.94 Favored 'Trans proline' 0 C--N 1.314 -1.271 0 C-N-CA 121.508 1.472 . . . . 0.0 111.573 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 238' ' ' PRO . . . . . 0.477 ' O ' ' N ' ' C' ' 240' ' ' GLN . 2.7 Cg_endo -48.35 -65.89 0.15 Allowed 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.395 2.063 . . . . 0.0 111.937 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.23 -21.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 240' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' C' ' 238' ' ' PRO . 11.6 mt-30 -105.52 37.01 2.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.738 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 241' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 76.9 mt-30 -134.54 154.13 51.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.054 0.454 . . . . 0.0 110.693 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 242' ' ' ARG . . . . . 0.66 ' NH1' HD22 ' D' ' 328' ' ' ASN . 11.5 mtt180 -155.1 103.6 2.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.808 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 54.6 mt -84.65 126.14 33.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.6 mt -131.12 117.02 35.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.288 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 245' ' ' PHE . . . . . 0.472 ' CZ ' ' OD1' ' A' ' 25' ' ' ASP . 52.0 t80 -109.62 77.83 1.09 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.68 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 246' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' C' ' 248' ' ' LYS . . . 72.09 89.59 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.769 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 247' ' ' GLY . . . . . 0.429 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 38.47 31.0 0.1 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 248' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' C' ' 246' ' ' ALA . 26.3 mmtm -133.74 100.92 4.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.785 0.326 . . . . 0.0 110.633 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 249' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' C' ' 250' ' ' LEU . 19.6 tm0? -76.22 125.01 28.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.114 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 250' ' ' LEU . . . . . 0.524 ' O ' ' NE2' ' C' ' 249' ' ' GLN . 8.8 mt -86.55 127.41 34.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.773 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 251' ' ' GLU . . . . . 0.493 ' H ' ' HH ' ' C' ' 259' ' ' TYR . 42.3 mt-10 -73.52 160.51 31.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.621 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.12 -18.12 47.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.78 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -105.22 38.93 3.04 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.331 -0.707 . . . . 0.0 111.331 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 28.2 mmt-85 -139.64 172.01 13.41 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 255' ' ' THR . . . . . 0.43 ' OG1' ' OD1' ' C' ' 258' ' ' ASP . 27.7 p -114.7 158.52 21.68 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.678 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 60.8 mt -57.06 -28.67 62.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.672 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 257' ' ' SER . . . . . . . . . . . . . 25.8 p -66.74 -41.34 88.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.733 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 258' ' ' ASP . . . . . 0.43 ' OD1' ' OG1' ' C' ' 255' ' ' THR . 1.0 OUTLIER -52.37 -29.36 23.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.663 -179.843 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 259' ' ' TYR . . . . . 0.493 ' HH ' ' H ' ' C' ' 251' ' ' GLU . 79.2 m-85 -100.42 16.92 22.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.683 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 260' ' ' ASN . . . . . 0.523 ' C ' HD21 ' C' ' 260' ' ' ASN . 0.2 OUTLIER 44.74 41.5 5.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 88.6 mt -84.31 109.44 17.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.383 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -85.24 -157.82 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.797 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -85.6 160.06 19.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 59.73 30.22 19.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.751 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 8.9 m -87.22 132.83 33.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.39 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 5.6 m -86.36 105.58 16.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.636 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 5.5 mp -94.05 121.18 35.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.393 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 268' ' ' HIS . . . . . 0.678 ' HD1' ' H ' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -83.83 105.9 15.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.476 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 269' ' ' LEU . . . . . 0.405 HD11 ' H ' ' C' ' 270' ' ' VAL . 44.9 tp -86.26 133.48 33.82 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.612 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 270' ' ' VAL . . . . . 0.405 ' H ' HD11 ' C' ' 269' ' ' LEU . 3.1 t -129.27 163.94 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.58 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 271' ' ' LEU . . . . . 0.541 ' O ' ' NH1' ' D' ' 340' ' ' ARG . 6.2 mp -97.05 114.8 26.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.528 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -82.88 118.0 23.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.372 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 273' ' ' LEU . . . . . 0.63 ' HG ' HH12 ' D' ' 340' ' ' ARG . 1.2 mt -91.04 154.31 19.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.553 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 274' ' ' ARG . . . . . 0.439 ' CZ ' ' CB ' ' C' ' 274' ' ' ARG . 8.9 mtp-105 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.467 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 . . . . . 0 N--CA 1.461 0.112 0 CA-C-O 120.825 0.345 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -84.77 92.76 8.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.506 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 14.8 mt -105.35 45.98 0.94 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.469 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 8.6 t -79.7 -13.01 59.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -146.81 88.48 1.75 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.838 0.351 . . . . 0.0 110.798 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -131.62 168.23 18.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.308 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -110.75 165.92 11.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.729 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 320' ' ' TYR . . . . . 0.479 ' C ' ' CD1' ' D' ' 320' ' ' TYR . 14.3 t80 -63.16 -48.73 77.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.591 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.22 94.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.778 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.67 -53.79 53.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.766 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 15.0 mt -59.25 -52.66 64.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.566 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 324' ' ' ARG . . . . . 0.658 HH21 HH22 ' C' ' 242' ' ' ARG . 6.3 tpt180 -59.16 -52.13 67.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.672 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 325' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' D' ' 329' ' ' THR . 14.1 t70 -60.17 -47.13 87.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.729 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 326' ' ' THR . . . . . 0.471 ' O ' ' N ' ' D' ' 330' ' ' SER . 64.5 m -56.07 -41.83 75.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.666 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 327' ' ' ILE . . . . . 0.568 ' CD1' ' NH2' ' D' ' 340' ' ' ARG . 87.3 mt -73.74 -35.51 43.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.595 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 328' ' ' ASN . . . . . 0.66 HD22 ' NH1' ' C' ' 242' ' ' ARG . 1.5 m-80 -81.09 -22.29 39.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.964 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.476 ' N ' ' O ' ' D' ' 325' ' ' ASP . 72.8 p -103.03 -46.98 4.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.843 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 330' ' ' SER . . . . . 0.471 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.9 OUTLIER -79.74 167.57 20.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.067 0.461 . . . . 0.0 110.861 -179.631 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 331' ' ' CYS . . . . . 0.429 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 6.5 p -138.24 15.27 2.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.051 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 332' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' D' ' 333' ' ' ILE . 20.3 m-20 -74.02 90.96 2.01 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.588 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' D' ' 332' ' ' ASP . 3.3 mt -38.44 -40.41 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.778 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -56.38 -58.98 5.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.129 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 335' ' ' LEU . . . . . 0.479 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 9.0 mt -57.06 -46.3 82.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.824 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 66.3 mt -50.71 -48.54 58.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.139 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -59.72 -49.5 77.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.09 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -60.44 -41.22 93.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.101 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 339' ' ' CYS . . . . . 0.479 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 63.8 m -62.99 -54.07 44.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.2 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 340' ' ' ARG . . . . . 0.63 HH12 ' HG ' ' C' ' 273' ' ' LEU . 0.0 OUTLIER -51.68 -40.21 59.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.355 -0.384 . . . . 0.0 109.966 179.584 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -61.33 -55.13 35.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 342' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -66.86 -37.04 83.68 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.898 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.08 -48.29 80.85 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.409 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -63.85 -54.46 34.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.209 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -45.91 -56.51 5.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.397 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 68.9 mtt-85 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.614 -179.868 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 . . . . . 0 N--CA 1.46 0.053 0 CA-C-O 120.748 0.309 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -78.61 92.94 4.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.442 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.7 mt -93.18 44.59 1.15 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.575 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.0 t -84.81 -10.5 57.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.819 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -147.46 84.01 1.55 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.739 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -129.93 164.21 24.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.287 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -105.36 165.15 11.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.561 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -66.0 -48.79 70.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.519 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.61 -33.68 74.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.714 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -68.34 -55.61 11.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.681 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 mt -55.29 -56.94 14.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.446 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.583 ' NH1' HE22 ' C' ' 262' ' ' GLN . 0.0 OUTLIER -53.01 -53.34 51.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.392 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.533 ' OD2' ' CZ ' ' C' ' 245' ' ' PHE . 1.5 t70 -53.65 -50.96 64.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.393 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.58 ' O ' ' N ' ' A' ' 30' ' ' SER . 19.7 m -50.87 -51.62 49.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.758 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 53.2 mt -65.04 -27.15 41.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.801 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.509 ' CG ' HH21 ' B' ' 142' ' ' ARG . 1.3 m-80 -98.22 -0.26 44.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.121 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.519 ' N ' ' O ' ' A' ' 25' ' ' ASP . 73.1 p -133.18 -6.24 3.02 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.141 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.58 ' N ' ' O ' ' A' ' 26' ' ' THR . 7.6 t -109.53 169.69 8.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.007 0.432 . . . . 0.0 111.153 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 85.8 m -144.28 39.36 1.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.401 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -115.79 104.4 11.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.733 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.6 mt -43.16 -36.04 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.449 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -62.0 -53.85 49.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.113 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.496 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 10.1 mt -64.34 -43.22 95.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.036 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.0 mt -59.94 -47.21 86.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.163 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.99 -49.07 73.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.476 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.409 ' O ' ' HG2' ' A' ' 41' ' ' GLU . . . -61.5 -52.41 64.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.372 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 98.3 m -51.8 -43.97 63.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.386 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.4 mtp-105 -68.59 -33.12 73.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.446 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.445 ' CG ' ' N ' ' A' ' 42' ' ' GLU . 2.6 pt-20 -66.48 -45.43 79.68 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.615 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.445 ' N ' ' CG ' ' A' ' 41' ' ' GLU . 4.0 pt-20 -71.81 -35.9 70.1 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.299 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -61.49 -44.69 96.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.926 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -66.73 -54.02 27.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.191 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -45.91 -55.82 6.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.387 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.7 mtp85 -45.96 -38.21 7.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.637 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.5 mt -77.87 -35.5 50.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.495 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -71.78 -60.44 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.541 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.4 p -45.21 127.43 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.621 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.515 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 32.2 t80 -155.38 72.07 0.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.495 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.515 ' CG ' ' O ' ' A' ' 50' ' ' TYR . 84.9 m-70 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.6 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 13.4 ttp . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -82.13 134.54 35.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.536 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 12.5 pt -134.9 142.99 38.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.749 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -95.55 140.09 30.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.594 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 18.0 t -122.81 106.8 18.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.268 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 7.8 tptp -81.15 134.68 35.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.561 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 111' ' ' LYS . 23.9 p -101.35 -167.51 1.43 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.459 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.618 ' CD2' ' H ' ' B' ' 108' ' ' LEU . 0.6 OUTLIER -82.7 -34.55 27.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.443 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 36.2 p -77.99 5.03 10.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.612 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 83.23 2.96 90.4 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.432 ' O ' ' OG1' ' B' ' 107' ' ' THR . 48.4 tttm -79.41 124.93 28.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.554 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 8.4 m -97.34 152.65 18.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.56 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 2.1 mt -136.83 126.87 39.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.536 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 5.3 m -94.45 124.59 38.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.297 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 31.1 mt -131.17 134.97 47.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.827 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -85.79 131.92 34.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.236 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 34.9 m -150.98 -164.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.923 0.392 . . . . 0.0 110.822 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.476 ' C ' ' H ' ' B' ' 120' ' ' SER . 6.1 mt-10 -144.62 146.74 33.33 Favored Pre-proline 0 CA--C 1.531 0.237 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.107 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -48.11 -10.24 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.447 2.098 . . . . 0.0 112.366 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' SER . . . . . 0.476 ' H ' ' C ' ' B' ' 118' ' ' GLU . 1.9 p -97.17 -22.96 16.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.719 0.295 . . . . 0.0 110.834 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . 0.463 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 1.3 m-20 -48.86 138.08 11.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.931 0.396 . . . . 0.0 110.711 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' THR . . . . . 0.479 ' O ' ' N ' ' B' ' 125' ' ' ASN . 18.4 p -89.89 135.9 33.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.631 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 27.8 mm -41.44 -44.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.484 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -57.42 -38.4 74.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.228 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' B' ' 122' ' ' THR . 0.1 OUTLIER -64.17 -40.15 95.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.156 179.609 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 74.9 t -63.13 -50.61 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.978 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . 0.444 ' NZ ' ' C ' ' B' ' 141' ' ' GLN . 46.3 mttm -51.38 -41.19 60.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.189 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.38 -43.2 99.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.274 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -59.09 -39.93 83.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.244 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 8.3 mt -67.25 -32.34 57.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.174 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -67.32 -31.4 71.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.338 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' B' ' 132' ' ' ASP . 3.5 m-20 -78.92 -26.29 43.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.755 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -83.77 -64.26 1.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.667 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -83.26 -107.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.635 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -174.3 22.86 0.06 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.761 -0.935 . . . . 0.0 110.761 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.522 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 24.1 mt -101.25 107.98 52.92 Favored Pre-proline 0 C--N 1.33 -0.282 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -62.94 152.76 77.51 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 121.674 1.583 . . . . 0.0 111.853 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.536 ' C ' ' H ' ' B' ' 140' ' ' GLN . 2.8 Cg_endo -46.93 -57.57 2.22 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.571 2.181 . . . . 0.0 111.851 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -51.17 -8.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.506 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.536 ' H ' ' C ' ' B' ' 138' ' ' PRO . 54.8 mt-30 -123.9 32.28 5.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.494 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 59.4 mt-30 -129.86 168.6 16.35 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.376 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . 0.509 HH21 ' CG ' ' A' ' 28' ' ' ASN . 36.6 ttt85 -170.35 109.01 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.35 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 14.2 mt -93.99 132.01 38.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.771 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.6 mt -123.46 141.28 44.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.292 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' B' ' 148' ' ' LYS . 36.7 t80 -155.53 159.93 40.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.616 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 43.26 27.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 68.33 35.38 82.24 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' B' ' 145' ' ' PHE . 80.6 mttt -148.09 139.7 23.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.782 0.325 . . . . 0.0 110.685 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' B' ' 150' ' ' LEU . 10.5 tm0? -75.97 127.51 33.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.168 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.526 ' O ' ' NE2' ' B' ' 149' ' ' GLN . 15.0 mt -81.26 133.83 35.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 0.0 110.907 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . 0.619 ' H ' ' HH ' ' B' ' 159' ' ' TYR . 40.8 mt-10 -78.36 163.4 25.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.69 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.01 -28.5 32.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.975 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -95.34 43.27 2.24 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -139.67 173.59 11.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.686 0.279 . . . . 0.0 110.335 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 29.8 p -118.14 162.04 18.87 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.719 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.21 -15.68 48.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.684 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 2.8 t -81.03 -42.39 21.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.726 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -48.89 -42.38 36.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.705 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . 0.619 ' HH ' ' H ' ' B' ' 151' ' ' GLU . 82.7 m-85 -87.12 0.88 54.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.6 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . 0.516 ' O ' ' NE2' ' B' ' 162' ' ' GLN . 21.8 m-20 60.81 41.72 14.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.677 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 76.7 mt -82.72 101.84 7.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.395 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' B' ' 160' ' ' ASN . 4.4 mp0 -78.67 -172.0 2.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.667 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -72.03 161.42 30.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.793 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 57.51 33.9 23.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.969 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 65.4 m -90.49 136.27 33.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.489 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 9.1 m -93.47 103.63 15.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.605 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 11.2 mt -91.82 126.49 36.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.471 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 168' ' ' HIS . . . . . 0.665 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -81.89 112.34 18.91 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.553 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . 0.534 ' C ' ' CD1' ' B' ' 169' ' ' LEU . 2.6 tm? -88.7 132.32 34.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.019 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 170' ' ' VAL . . . . . 0.412 ' H ' HD23 ' B' ' 169' ' ' LEU . 2.1 t -143.78 138.16 25.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.713 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 7.8 mp -77.24 158.52 30.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.531 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -109.56 70.94 0.75 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.262 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 13.9 mt -40.36 104.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.748 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 174' ' ' ARG . . . . . 0.473 ' CZ ' ' CB ' ' B' ' 174' ' ' ARG . 11.6 ttm105 -58.9 152.87 18.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 175' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' B' ' 176' ' ' GLY . . . -151.15 -47.35 0.02 OUTLIER Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 176' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' B' ' 175' ' ' GLY . . . . . . . . 0 CA--C 1.526 0.722 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 201' ' ' MET . . . . . 0.54 ' N ' ' O ' ' C' ' 217' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 202' ' ' GLN . . . . . 0.417 ' O ' ' OE1' ' C' ' 264' ' ' GLU . 21.3 mt-30 -118.09 112.41 20.17 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.436 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 11.8 pt -100.54 161.26 3.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.825 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -105.05 154.95 19.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.13 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 65.4 t -139.8 108.45 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.219 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 50.3 mttm -97.33 133.17 42.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.985 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 30.3 p -93.96 -148.51 0.26 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.362 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 208' ' ' LEU . . . . . 0.617 ' CD2' ' H ' ' C' ' 208' ' ' LEU . 0.5 OUTLIER -83.46 -47.62 11.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.313 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 5.9 p -74.03 20.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.511 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 210' ' ' GLY . . . . . 0.531 ' H ' ' C ' ' C' ' 208' ' ' LEU . . . 65.47 22.15 69.29 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -76.97 109.83 11.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.725 0.298 . . . . 0.0 110.594 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 9.3 m -90.73 145.53 24.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.649 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 2.7 mt -137.58 128.06 37.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.661 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 5.4 m -91.41 117.39 29.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.08 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 23.9 mt -119.36 131.09 55.64 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.893 0.378 . . . . 0.0 111.098 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -84.13 115.63 22.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.913 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 217' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' C' ' 201' ' ' MET . 4.6 m -145.76 177.59 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.854 0.359 . . . . 0.0 111.165 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 218' ' ' GLU . . . . . 0.546 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 62.8 mt-10 -131.26 152.76 81.13 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.955 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.19 -25.89 2.1 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.714 2.276 . . . . 0.0 112.613 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 220' ' ' SER . . . . . 0.414 ' H ' ' HG ' ' C' ' 220' ' ' SER . 2.4 p -81.68 -26.14 34.93 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.136 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 221' ' ' ASP . . . . . 0.546 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 1.1 m-20 -44.96 137.8 3.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.962 0.41 . . . . 0.0 110.825 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 222' ' ' THR . . . . . 0.466 ' O ' ' N ' ' C' ' 225' ' ' ASN . 18.2 p -91.25 136.5 33.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.463 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 223' ' ' ILE . . . . . 0.43 HG21 HD13 ' C' ' 223' ' ' ILE . 20.9 mm -41.54 -48.66 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.523 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -53.78 -36.56 62.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.275 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 225' ' ' ASN . . . . . 0.666 ' ND2' ' HZ2' ' C' ' 229' ' ' LYS . 0.2 OUTLIER -65.23 -41.01 94.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.12 179.594 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 13.7 t -63.09 -44.51 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.088 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 227' ' ' LYS . . . . . 0.455 ' HZ2' ' H ' ' C' ' 243' ' ' LEU . 46.4 mttm -56.93 -39.08 73.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.123 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.71 -45.01 91.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.248 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 229' ' ' LYS . . . . . 0.666 ' HZ2' ' ND2' ' C' ' 225' ' ' ASN . 43.4 mttp -56.74 -51.33 69.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.269 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 73.3 mt -56.16 -45.12 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.223 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.75 -26.14 44.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.083 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -76.66 -39.0 53.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.336 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -72.18 -63.67 1.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.283 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -80.89 -115.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.589 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -167.54 10.87 0.06 OUTLIER Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 236' ' ' ILE . . . . . 0.498 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 40.4 mt -79.55 116.24 59.26 Favored Pre-proline 0 C--N 1.329 -0.324 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.26 152.12 74.38 Favored 'Trans proline' 0 C--N 1.314 -1.263 0 C-N-CA 121.468 1.445 . . . . 0.0 111.478 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -47.49 -60.89 0.71 Allowed 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.427 2.085 . . . . 0.0 111.97 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 239' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' C' ' 239' ' ' ASP . 9.9 t70 -47.36 -22.37 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.796 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -104.48 34.04 3.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.764 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 241' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 67.7 mt-30 -134.51 144.69 48.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.583 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 242' ' ' ARG . . . . . 0.574 ' NH2' ' NH1' ' C' ' 272' ' ' ARG . 19.5 ttm180 -150.47 122.98 8.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.283 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 243' ' ' LEU . . . . . 0.455 ' H ' ' HZ2' ' C' ' 227' ' ' LYS . 76.7 mt -101.0 130.55 47.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.074 0.464 . . . . 0.0 110.997 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.6 mt -128.62 126.28 64.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.208 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 245' ' ' PHE . . . . . 0.533 ' CZ ' ' OD2' ' A' ' 25' ' ' ASP . 63.2 t80 -110.89 74.19 0.86 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.654 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 246' ' ' ALA . . . . . 0.516 ' C ' ' H ' ' C' ' 248' ' ' LYS . . . 66.04 69.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.847 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 247' ' ' GLY . . . . . 0.477 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 73.55 -23.07 1.02 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 248' ' ' LYS . . . . . 0.516 ' H ' ' C ' ' C' ' 246' ' ' ALA . 87.7 mttt -81.99 90.74 6.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.737 0.303 . . . . 0.0 110.62 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 249' ' ' GLN . . . . . 0.512 ' NE2' ' O ' ' C' ' 249' ' ' GLN . 0.0 OUTLIER -68.25 128.35 36.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.063 179.656 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 8.5 mt -89.29 134.21 34.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 0.0 110.845 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -82.6 159.97 22.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.544 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.72 -18.63 58.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.968 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -107.04 43.09 1.76 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 21.7 mmt-85 -139.81 175.43 9.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.634 0.254 . . . . 0.0 110.344 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 255' ' ' THR . . . . . 0.453 ' C ' ' H ' ' C' ' 257' ' ' SER . 26.6 p -119.43 163.37 17.34 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.736 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.21 1.18 1.64 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.689 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 257' ' ' SER . . . . . 0.529 ' C ' ' H ' ' C' ' 259' ' ' TYR . 29.6 t -96.41 -33.49 11.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.623 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.75 17.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.595 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 259' ' ' TYR . . . . . 0.529 ' H ' ' C ' ' C' ' 257' ' ' SER . 68.9 m-85 -140.63 2.77 1.83 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.55 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 260' ' ' ASN . . . . . 0.489 ' O ' ' ND2' ' C' ' 260' ' ' ASN . 0.4 OUTLIER 62.03 24.99 14.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.786 179.842 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 86.8 mt -75.92 111.32 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.362 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 262' ' ' GLN . . . . . 0.583 HE22 ' NH1' ' A' ' 24' ' ' ARG . 30.0 mt-30 -86.65 -157.45 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.705 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -85.75 157.97 20.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.735 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 264' ' ' GLU . . . . . 0.417 ' OE1' ' O ' ' C' ' 202' ' ' GLN . 8.1 mm-40 56.66 25.75 10.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.846 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 16.0 m -79.01 136.83 37.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.386 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 5.0 m -83.42 108.52 16.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.707 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 1.3 mp -98.39 125.23 43.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.262 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 268' ' ' HIS . . . . . 0.693 ' HD1' ' H ' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -85.7 109.93 18.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.473 -179.873 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 62.8 tp -87.8 143.97 26.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.714 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 2.0 t -145.27 137.59 20.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.361 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 271' ' ' LEU . . . . . 0.574 ' CD1' ' N ' ' C' ' 271' ' ' LEU . 6.4 mp -85.87 112.46 21.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.498 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 272' ' ' ARG . . . . . 0.574 ' NH1' ' NH2' ' C' ' 242' ' ' ARG . 40.6 mtp180 -62.97 120.13 10.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.619 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 273' ' ' LEU . . . . . . . . . . . . . 12.4 mt -89.9 74.77 7.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.508 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 22.2 ttt85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.568 179.932 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.794 0.331 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -80.85 92.86 6.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.621 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 15.8 mt -99.57 43.66 1.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.532 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 99.3 p -84.42 -0.16 51.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.668 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -138.77 69.79 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.661 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -130.03 175.23 9.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.384 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 319' ' ' LYS . . . . . 0.515 ' N ' ' OE1' ' D' ' 322' ' ' GLU . 33.3 mttp -128.19 170.09 13.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.756 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 320' ' ' TYR . . . . . 0.489 ' C ' ' CD1' ' D' ' 320' ' ' TYR . 8.0 t80 -62.01 -46.67 88.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.541 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -61.82 -48.01 82.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 322' ' ' GLU . . . . . 0.515 ' OE1' ' N ' ' D' ' 319' ' ' LYS . 73.3 mt-10 -56.44 -55.92 27.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 15.3 mt -59.02 -59.64 5.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.65 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 324' ' ' ARG . . . . . 0.66 ' NH1' HD22 ' D' ' 328' ' ' ASN . 16.2 tpt85 -53.09 -49.62 66.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.699 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 325' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' D' ' 329' ' ' THR . 32.0 t70 -62.03 -47.17 85.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.68 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 326' ' ' THR . . . . . 0.536 ' O ' ' N ' ' D' ' 330' ' ' SER . 54.5 m -55.54 -47.18 76.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.404 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 327' ' ' ILE . . . . . 0.445 HD12 HG23 ' D' ' 327' ' ' ILE . 85.2 mt -67.04 -31.98 55.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.43 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 328' ' ' ASN . . . . . 0.66 HD22 ' NH1' ' D' ' 324' ' ' ARG . 1.0 OUTLIER -88.31 -14.05 39.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 -179.544 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.518 ' N ' ' O ' ' D' ' 325' ' ' ASP . 57.4 p -113.77 -13.42 12.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.93 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 330' ' ' SER . . . . . 0.6 ' HG ' ' H ' ' D' ' 331' ' ' CYS . 4.4 t -112.41 -176.58 2.95 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.043 0.449 . . . . 0.0 110.877 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 331' ' ' CYS . . . . . 0.6 ' H ' ' HG ' ' D' ' 330' ' ' SER . 9.7 p -152.02 7.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.172 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -69.97 92.34 0.72 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.412 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 2.1 mt -38.55 -41.86 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.668 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -54.76 -54.3 43.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.112 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 335' ' ' LEU . . . . . 0.456 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 8.5 mt -61.39 -42.16 98.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.023 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 84.0 mt -53.46 -44.51 68.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.434 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -68.05 -49.41 61.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.471 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -60.38 -43.9 96.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.251 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 339' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 76.9 m -63.04 -53.44 53.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.155 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 340' ' ' ARG . . . . . 0.506 ' O ' ' CD2' ' D' ' 344' ' ' HIS . 22.2 mtp85 -51.88 -38.35 55.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.221 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -63.78 -60.04 3.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.612 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 342' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -62.09 -36.48 81.83 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.433 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -60.71 -42.06 96.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.139 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 344' ' ' HIS . . . . . 0.506 ' CD2' ' O ' ' D' ' 340' ' ' ARG . 31.2 m170 -66.43 -50.18 64.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.056 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -50.01 -46.46 52.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.257 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 12.2 mtp85 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.626 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 . . . . . 0 N--CA 1.462 0.143 0 CA-C-O 120.796 0.332 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -113.11 92.91 4.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.663 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.4 mt -95.79 45.26 1.08 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.369 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.7 m -79.93 18.37 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.726 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -170.91 84.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.605 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -134.01 174.16 10.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.365 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.3 mttp -122.38 165.02 16.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.669 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.426 ' OH ' ' N ' ' B' ' 176' ' ' GLY . 18.7 t80 -63.27 -49.48 73.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.433 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.43 -36.22 81.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.662 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -66.41 -55.21 16.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.667 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.9 mt -55.27 -56.3 21.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.478 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.727 HH12 HH22 ' B' ' 142' ' ' ARG . 14.9 tpt85 -53.87 -53.36 53.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.472 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' A' ' 29' ' ' THR . 9.4 t70 -52.96 -51.15 62.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.435 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.577 ' O ' ' N ' ' A' ' 30' ' ' SER . 24.1 m -50.84 -50.33 56.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.671 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.416 HG22 HD13 ' A' ' 27' ' ' ILE . 95.7 mt -67.5 -22.77 29.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.491 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.674 HD22 ' NH1' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -101.73 0.41 35.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.248 -179.647 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 25' ' ' ASP . 50.5 p -140.06 -1.53 1.56 Allowed 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.909 -0.317 . . . . 0.0 111.29 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.577 ' N ' ' O ' ' A' ' 26' ' ' THR . 2.0 t -119.72 157.15 29.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.021 0.439 . . . . 0.0 111.076 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.501 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 26.9 p -134.52 85.98 2.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.383 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -158.89 97.62 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.538 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.9 mt -39.31 -42.39 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -56.41 -59.01 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.315 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 24.7 mt -58.88 -50.15 75.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.086 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.3 mt -50.41 -45.32 55.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.456 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.14 -48.95 77.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.386 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.89 -46.02 91.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.321 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 78.5 m -57.47 -53.52 57.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.283 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.2 mtp85 -55.63 -42.63 75.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.464 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -55.79 -62.86 1.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.658 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 43' ' ' PHE . 3.9 pt-20 -59.57 -40.59 87.85 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.428 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.402 ' N ' ' CG ' ' A' ' 42' ' ' GLU . 13.1 t80 -52.53 -42.66 64.56 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.027 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -69.99 -45.51 67.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.239 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -48.22 -52.94 18.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.488 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -46.88 -35.33 6.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.198 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 16.1 mt -86.07 -39.38 16.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.581 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.476 ' O ' ' CE1' ' A' ' 51' ' ' HIS . 72.3 tttt -62.75 -60.51 3.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.558 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.5 t 61.44 -123.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.373 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -137.6 82.67 1.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.497 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.476 ' CE1' ' O ' ' A' ' 48' ' ' LYS . 5.2 m-70 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.555 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.454 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . 0.535 ' N ' ' OE1' ' B' ' 102' ' ' GLN . 1.3 mp0 -81.13 108.97 15.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.547 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 11.2 pt -108.53 146.16 14.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.454 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -98.88 147.24 25.15 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.799 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 5.0 t -137.7 108.85 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.429 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm -89.56 134.61 34.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.634 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 74.6 p -93.28 -162.04 0.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.274 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.57 ' CD2' ' N ' ' B' ' 108' ' ' LEU . 3.2 mm? -71.88 -52.84 15.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.499 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 6.0 p -62.99 -16.95 61.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.575 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.86 25.94 7.34 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -84.44 117.61 23.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.812 0.339 . . . . 0.0 110.515 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 6.5 m -91.24 135.23 33.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.676 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 2.2 mt -123.44 125.72 72.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.531 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 24.0 m -95.15 103.39 15.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.052 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 28.4 mt -114.69 135.65 53.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.975 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.532 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 4.2 mp0 -85.91 128.43 34.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.124 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' B' ' 101' ' ' MET . 15.8 m -147.05 -162.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.04 0.447 . . . . 0.0 110.973 -179.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -143.43 171.05 7.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.653 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -74.51 -6.84 18.85 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 C-N-CA 122.294 1.996 . . . . 0.0 112.318 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 2.4 p -104.92 -4.16 22.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.515 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -68.26 136.38 53.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.473 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 4.7 p -86.08 140.21 30.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.904 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 25.0 mm -45.97 -51.98 3.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.281 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -47.86 -40.85 22.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.242 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.498 ' OD1' ' NZ ' ' B' ' 129' ' ' LYS . 30.1 t-20 -61.65 -46.03 91.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.072 179.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 42.3 t -56.48 -45.77 82.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.958 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -56.73 -33.36 66.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.975 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.96 -55.27 20.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.167 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.498 ' NZ ' ' OD1' ' B' ' 125' ' ' ASN . 48.9 mttp -51.56 -48.56 63.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.188 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 49.8 mt -55.99 -45.29 80.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.155 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -54.86 -30.14 57.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.996 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -72.47 -40.47 66.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.517 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -71.99 -65.95 0.7 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.394 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -77.67 -108.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.606 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 176.62 16.48 0.02 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.456 ' O ' ' OE1' ' B' ' 141' ' ' GLN . 30.1 mt -81.72 128.45 69.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -57.75 144.96 92.16 Favored 'Trans proline' 0 C--N 1.313 -1.297 0 C-N-CA 121.531 1.487 . . . . 0.0 111.639 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -52.38 -29.99 41.41 Favored 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 122.171 1.914 . . . . 0.0 111.804 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . 0.497 ' C ' ' H ' ' B' ' 141' ' ' GLN . 0.7 OUTLIER -71.01 -56.15 6.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.612 -179.845 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.427 ' OE1' ' O ' ' B' ' 172' ' ' ARG . 13.4 mm100 -71.44 41.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.598 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . 0.497 ' H ' ' C ' ' B' ' 139' ' ' ASP . 35.8 mt-30 -134.36 160.03 39.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.586 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . 0.727 HH22 HH12 ' A' ' 24' ' ' ARG . 11.3 ttm180 -170.34 151.97 3.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.754 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.3 mt -130.77 138.25 49.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.135 0.493 . . . . 0.0 111.218 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 2.0 mt -130.2 137.18 57.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.903 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . 0.472 ' O ' ' N ' ' B' ' 148' ' ' LYS . 64.8 t80 -153.69 161.17 42.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.668 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 39.99 29.45 0.05 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.684 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' B' ' 145' ' ' PHE . . . 66.64 42.7 93.22 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' B' ' 145' ' ' PHE . 86.2 mttt -150.8 137.47 18.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.618 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -81.7 127.32 32.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.19 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 10.1 mt -83.08 133.32 35.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 110.69 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -80.07 159.98 25.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.572 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.9 -4.17 55.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.758 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -120.61 40.49 2.15 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -139.56 171.32 14.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.637 0.256 . . . . 0.0 110.326 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 3.8 p -110.73 163.27 13.93 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.907 0.384 . . . . 0.0 110.77 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.44 -16.2 61.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.763 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 157' ' ' SER . . . . . 0.529 ' C ' ' H ' ' B' ' 159' ' ' TYR . 2.5 t -78.07 -34.2 50.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.687 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -72.53 17.8 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.618 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . 0.529 ' H ' ' C ' ' B' ' 157' ' ' SER . 59.8 m-85 -140.58 1.62 1.75 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.536 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 62.66 26.62 15.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.752 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 83.0 mt -79.53 100.02 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.454 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -83.82 -157.35 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.747 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 7.3 ptp85 -82.48 161.56 22.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.736 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 57.17 15.63 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.633 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 35.1 m -81.25 136.35 35.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 166' ' ' THR . . . . . 0.403 ' O ' ' CD1' ' B' ' 145' ' ' PHE . 3.1 m -87.04 155.35 20.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.453 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 11.0 mt -139.79 124.27 18.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.598 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 168' ' ' HIS . . . . . 0.711 ' N ' ' HD1' ' B' ' 168' ' ' HIS . 0.2 OUTLIER -83.77 105.65 14.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.177 179.761 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . 0.42 HD23 ' N ' ' B' ' 170' ' ' VAL . 5.8 tt -85.7 131.54 34.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.164 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 170' ' ' VAL . . . . . 0.42 ' N ' HD23 ' B' ' 169' ' ' LEU . 3.0 t -127.57 140.84 48.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.311 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 8.6 mp -80.97 106.45 12.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.512 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . 0.616 ' NH1' ' NH2' ' A' ' 24' ' ' ARG . 46.8 ttt85 -60.66 110.21 1.24 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.519 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 27.6 mt -78.07 142.24 38.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.535 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -81.3 128.77 34.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.566 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 161.79 167.0 21.6 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 176' ' ' GLY . . . . . 0.426 ' N ' ' OH ' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.526 0.755 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 201' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -95.92 115.39 27.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.694 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 17.6 pt -106.73 147.53 11.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.564 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -96.88 146.47 24.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.651 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 44.9 t -134.55 106.8 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.323 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -93.79 134.28 36.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 48.8 p -91.32 -169.56 2.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.424 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 208' ' ' LEU . . . . . 0.608 ' CD2' ' H ' ' C' ' 208' ' ' LEU . 0.4 OUTLIER -85.64 22.53 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.512 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 11.7 p -136.5 1.51 2.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.524 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 89.85 8.92 66.7 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -80.04 112.66 17.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.727 0.299 . . . . 0.0 110.556 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 15.2 m -95.04 143.27 26.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.704 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 1.4 mt -133.69 124.64 48.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.446 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 30.5 m -90.92 111.84 23.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.314 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 16.8 mt -116.91 128.73 55.51 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.944 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -81.02 122.22 27.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.13 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 217' ' ' VAL . . . . . . . . . . . . . 11.0 m -146.89 -169.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.007 0.432 . . . . 0.0 110.985 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 218' ' ' GLU . . . . . 0.524 ' N ' ' OD2' ' C' ' 221' ' ' ASP . 43.2 mt-10 -147.44 153.73 44.31 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.97 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.68 -48.59 10.27 Favored 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.832 2.355 . . . . 0.0 112.595 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 2.4 p -59.48 -36.14 75.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.38 -179.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 221' ' ' ASP . . . . . 0.524 ' OD2' ' N ' ' C' ' 218' ' ' GLU . 6.2 m-20 -41.8 138.28 1.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.014 0.435 . . . . 0.0 110.908 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 222' ' ' THR . . . . . 0.495 ' HG1' ' H ' ' C' ' 225' ' ' ASN . 19.1 p -90.3 138.31 31.64 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.626 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 223' ' ' ILE . . . . . 0.41 HD11 HG23 ' C' ' 223' ' ' ILE . 20.3 mm -43.78 -55.76 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.577 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -45.84 -43.15 13.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.31 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 225' ' ' ASN . . . . . 0.495 ' H ' ' HG1' ' C' ' 222' ' ' THR . 30.4 t-20 -59.16 -46.07 89.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.416 . . . . 0.0 109.891 179.575 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 36.7 t -55.81 -47.44 79.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 227' ' ' LYS . . . . . 0.443 ' O ' ' OE1' ' C' ' 241' ' ' GLN . 80.3 mttt -53.82 -33.79 57.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.857 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 228' ' ' ALA . . . . . 0.428 ' O ' ' OD2' ' C' ' 232' ' ' ASP . . . -66.78 -41.19 88.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.151 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 48.5 mttm -62.18 -42.04 98.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.385 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 44.7 mt -65.25 -46.83 89.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.34 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 231' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' C' ' 231' ' ' GLN . 0.9 OUTLIER -55.75 -30.72 61.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.356 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 232' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' C' ' 228' ' ' ALA . 22.8 m-20 -76.21 -28.04 57.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.374 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 24.5 mmtm -78.55 -62.2 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.416 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -82.94 -79.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.5 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 153.74 9.11 0.08 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 236' ' ' ILE . . . . . 0.527 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 47.6 mt -82.48 129.58 62.41 Favored Pre-proline 0 C--N 1.329 -0.299 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -56.12 149.84 51.44 Favored 'Trans proline' 0 N--CA 1.49 1.274 0 C-N-CA 121.568 1.512 . . . . 0.0 111.567 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 238' ' ' PRO . . . . . 0.52 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.5 Cg_endo -50.32 -68.11 0.09 OUTLIER 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.319 2.013 . . . . 0.0 112.146 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -39.01 -31.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.285 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -89.19 29.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.9 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 241' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 87.3 mt-30 -134.89 95.84 3.41 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.765 0.316 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 242' ' ' ARG . . . . . . . . . . . . . 31.5 ttt85 -100.95 120.84 40.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.103 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 12.5 mt -96.33 133.5 40.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.116 0.484 . . . . 0.0 111.224 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 244' ' ' ILE . . . . . 0.403 ' CG2' ' SG ' ' D' ' 331' ' ' CYS . 1.7 mt -130.1 117.65 41.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.883 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 245' ' ' PHE . . . . . 0.524 ' CZ ' ' OD2' ' A' ' 25' ' ' ASP . 46.5 t80 -100.52 76.34 1.83 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.878 0.371 . . . . 0.0 111.099 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 50.6 88.71 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.151 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 247' ' ' GLY . . . . . . . . . . . . . . . 58.31 36.31 82.72 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.531 -0.627 . . . . 0.0 111.531 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -151.02 89.54 1.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.718 0.294 . . . . 0.0 110.847 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 249' ' ' GLN . . . . . 0.544 HE21 ' C ' ' C' ' 250' ' ' LEU . 0.4 OUTLIER -70.19 117.21 11.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.009 179.572 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 250' ' ' LEU . . . . . 0.544 ' C ' HE21 ' C' ' 249' ' ' GLN . 10.9 mt -77.45 141.21 39.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.967 0.413 . . . . 0.0 111.12 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -83.99 160.24 21.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.398 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.95 -3.31 59.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.714 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -123.02 39.38 2.25 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 62.1 mmt-85 -139.41 175.54 9.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.676 0.274 . . . . 0.0 110.356 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 255' ' ' THR . . . . . 0.433 ' C ' ' H ' ' C' ' 257' ' ' SER . 8.8 p -112.64 156.24 23.07 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.885 0.374 . . . . 0.0 110.815 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.12 -5.6 1.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.572 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 257' ' ' SER . . . . . 0.433 ' H ' ' C ' ' C' ' 255' ' ' THR . 8.3 t -85.38 -40.77 16.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.693 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -51.9 -33.99 39.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.745 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -96.46 10.54 37.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.715 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 50.77 39.68 22.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 69.1 mt -82.33 105.12 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.383 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 262' ' ' GLN . . . . . 0.442 HE22 HH22 ' B' ' 172' ' ' ARG . 43.9 mt-30 -82.78 -156.83 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -83.93 161.67 20.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 55.58 29.05 12.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.721 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 37.9 m -83.17 131.99 35.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.573 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 9.1 m -87.92 112.38 22.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.495 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 11.3 mt -107.27 132.95 52.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.561 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 268' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -90.79 110.22 21.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.404 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 30.8 tp -86.18 139.2 31.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 270' ' ' VAL . . . . . 0.597 ' CG1' ' CZ ' ' D' ' 340' ' ' ARG . 12.1 t -134.27 145.29 33.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.231 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 271' ' ' LEU . . . . . . . . . . . . . 7.9 mt -87.27 97.28 10.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.538 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -62.48 101.87 0.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.54 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 273' ' ' LEU . . . . . . . . . . . . . 12.6 mt -78.23 151.06 33.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.53 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.504 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.874 0.368 . . . . 0.0 110.463 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 314' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' D' ' 314' ' ' ASP . 0.5 OUTLIER -84.45 92.99 8.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.624 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 10.6 mt -95.79 44.98 1.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.457 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 59.0 p -82.98 18.44 1.64 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.787 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.75 84.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.66 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -133.83 -178.29 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.281 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -125.28 160.55 28.99 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.563 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -58.37 -51.37 70.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.578 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -63.14 -45.09 93.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.748 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -57.49 -43.45 84.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.68 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 14.6 mt -67.63 -55.39 13.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.512 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 324' ' ' ARG . . . . . 0.478 ' O ' ' ND2' ' D' ' 328' ' ' ASN . 9.9 ttt-85 -57.12 -53.39 58.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.605 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 325' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' D' ' 329' ' ' THR . 8.0 t70 -53.37 -50.98 63.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.343 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 326' ' ' THR . . . . . 0.581 ' O ' ' N ' ' D' ' 330' ' ' SER . 63.7 m -53.92 -47.84 70.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.289 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 327' ' ' ILE . . . . . 0.635 ' CG2' HH22 ' D' ' 340' ' ' ARG . 57.9 mt -67.57 -31.43 52.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.445 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 328' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' D' ' 324' ' ' ARG . 1.5 m-80 -88.82 -4.42 58.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.723 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.451 ' N ' ' O ' ' D' ' 325' ' ' ASP . 71.0 p -126.75 -10.26 6.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.198 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 330' ' ' SER . . . . . 0.581 ' N ' ' O ' ' D' ' 326' ' ' THR . 13.7 t -104.94 173.51 6.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.054 0.454 . . . . 0.0 111.14 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 331' ' ' CYS . . . . . 0.468 ' N ' ' HG ' ' D' ' 330' ' ' SER . 96.9 m -150.1 34.12 0.66 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.447 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 332' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' D' ' 333' ' ' ILE . 0.9 OUTLIER -110.11 101.83 10.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.651 -179.818 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . 0.562 ' H ' ' CD1' ' D' ' 333' ' ' ILE . 0.7 OUTLIER -38.96 -44.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.474 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -53.43 -57.03 12.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.041 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 18.6 mt -59.85 -47.01 87.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.939 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 336' ' ' LEU . . . . . 0.438 ' CA ' HH21 ' D' ' 340' ' ' ARG . 23.5 mt -54.67 -46.64 74.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.449 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -64.07 -49.15 73.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.456 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -56.87 -43.37 81.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.338 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 339' ' ' CYS . . . . . . . . . . . . . 61.6 m -63.08 -53.59 51.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.197 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 340' ' ' ARG . . . . . 0.635 HH22 ' CG2' ' D' ' 327' ' ' ILE . 0.8 OUTLIER -56.7 -31.32 64.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.265 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -67.27 -53.68 27.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.304 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 342' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -67.95 -37.76 81.99 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.706 -0.397 . . . . 0.0 110.49 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -62.18 -44.95 95.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 344' ' ' HIS . . . . . 0.456 ' CG ' ' O ' ' D' ' 340' ' ' ARG . 30.8 m170 -64.71 -54.68 27.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.266 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -47.18 -56.3 6.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.432 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 69.4 mtt-85 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.716 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.52 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 3.3 m-85 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.726 0.298 . . . . 0.0 110.537 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -80.9 92.88 6.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.57 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.0 mt -97.35 43.42 1.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.466 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.7 t -82.33 2.71 30.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.692 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -147.68 73.81 1.29 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.692 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -131.12 159.42 37.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.341 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -105.49 168.28 9.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.74 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -66.21 -47.31 74.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.464 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.85 -36.38 79.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.681 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.416 ' O ' ' OG1' ' A' ' 26' ' ' THR . 71.2 mm-40 -67.58 -55.33 13.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.621 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -56.6 -56.76 17.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.549 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.524 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 5.0 tpt180 -54.81 -53.41 55.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.509 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.441 ' O ' ' OG1' ' A' ' 29' ' ' THR . 5.6 t70 -54.63 -50.23 68.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.566 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 30' ' ' SER . 25.6 m -53.59 -40.99 66.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.669 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.1 mt -76.43 -25.04 16.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.67 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.615 HD21 ' N ' ' A' ' 28' ' ' ASN . 0.8 OUTLIER -91.03 -8.33 49.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.945 -179.753 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 16.9 p -126.74 -44.46 1.66 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.01 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.5 OUTLIER -76.61 150.09 36.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.019 0.437 . . . . 0.0 111.064 -179.495 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.609 ' SG ' ' CG ' ' B' ' 168' ' ' HIS . 13.5 t -124.92 31.5 5.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.29 94.19 9.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.515 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.6 mt -39.46 -40.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.855 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -57.43 -59.04 5.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.417 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.459 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 11.9 mt -58.78 -46.13 88.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.192 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.9 mt -50.69 -43.71 57.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.451 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.56 -49.31 66.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.23 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.66 -41.29 90.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.222 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.459 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 70.8 m -61.22 -53.5 56.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.152 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.42 ' O ' ' CD2' ' A' ' 44' ' ' HIS . 17.4 mtp-105 -52.54 -42.31 64.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.183 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -59.1 -62.87 1.56 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.729 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 43' ' ' PHE . 3.9 pt-20 -59.73 -42.01 92.17 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.457 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.431 ' N ' ' CG ' ' A' ' 42' ' ' GLU . 21.4 t80 -53.49 -41.41 66.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.065 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.42 ' CD2' ' O ' ' A' ' 40' ' ' ARG . 16.2 m170 -69.27 -44.33 72.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.165 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 49' ' ' VAL . 48.1 mtp180 -51.34 -52.52 44.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.456 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -46.01 -32.02 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.237 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.4 mt -89.16 -37.06 15.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.496 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -89.64 10.65 22.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.6 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.602 ' CG2' ' H ' ' A' ' 50' ' ' TYR . 8.1 p -74.02 179.65 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.387 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.602 ' H ' ' CG2' ' A' ' 49' ' ' VAL . 8.1 t80 -64.98 -141.55 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.409 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 . . . . . 0 C--N 1.324 -0.521 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.639 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 2.1 ptt? . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -100.65 117.5 34.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.581 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 23.4 pt -103.88 149.74 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.609 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -102.27 133.04 47.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.586 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 97.2 t -119.28 113.46 41.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.315 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -98.25 132.45 43.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.768 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' THR . . . . . 0.456 ' O ' ' N ' ' B' ' 110' ' ' GLY . 24.5 p -99.56 -179.81 4.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.32 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.75 ' CD2' ' H ' ' B' ' 108' ' ' LEU . 0.4 OUTLIER -42.81 -66.9 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.531 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 36.8 p -56.41 -5.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.539 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . 0.513 ' H ' ' C ' ' B' ' 108' ' ' LEU . . . 89.64 3.61 74.21 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -52.03 112.64 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.746 0.307 . . . . 0.0 110.402 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.1 m -87.77 146.29 25.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.668 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 2.9 mt -140.73 127.92 22.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.556 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 8.5 m -91.88 112.33 24.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.258 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 20.8 mt -116.29 126.67 53.88 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.873 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -78.12 117.78 19.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.154 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 7.6 m -146.47 168.54 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.949 0.404 . . . . 0.0 110.991 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.462 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 1.5 mt-10 -111.44 177.51 1.19 Allowed Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.586 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -74.76 -28.29 9.76 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.375 2.05 . . . . 0.0 112.006 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 3.9 t -84.91 -12.91 52.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.663 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . 0.462 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 50.7 m-20 -54.42 135.74 44.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.53 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 15.4 p -86.55 140.14 30.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 5.2 mm -46.72 -41.21 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.11 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.15 -40.55 74.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.0 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.518 ' C ' HD21 ' B' ' 125' ' ' ASN . 0.2 OUTLIER -62.36 -40.88 97.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.798 179.356 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 19.1 t -60.72 -53.07 54.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.928 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 39.9 mttp -49.99 -34.45 21.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.777 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . 0.411 ' O ' ' OD1' ' B' ' 132' ' ' ASP . . . -66.0 -43.16 88.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.138 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -59.93 -40.18 88.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.319 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 4.8 mt -66.87 -47.96 81.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.359 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -55.71 -24.55 35.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.282 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' B' ' 128' ' ' ALA . 1.0 OUTLIER -83.52 -27.7 29.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.565 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -83.78 -65.89 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.667 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -81.21 -106.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.65 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -175.83 18.85 0.04 OUTLIER Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.43 ' O ' ' OE1' ' B' ' 141' ' ' GLN . 36.7 mt -91.78 112.51 54.97 Favored Pre-proline 0 CA--C 1.532 0.258 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -63.92 152.72 79.53 Favored 'Trans proline' 0 C--N 1.314 -1.268 0 C-N-CA 121.484 1.456 . . . . 0.0 111.761 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.9 Cg_endo -47.82 -62.63 0.41 Allowed 'Trans proline' 0 C--N 1.309 -1.552 0 C-N-CA 122.497 2.131 . . . . 0.0 111.892 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -43.45 -23.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.69 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.416 ' N ' ' C ' ' B' ' 138' ' ' PRO . 80.0 mt-30 -105.66 34.87 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.546 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' B' ' 138' ' ' PRO . 33.5 mt-30 -134.37 163.98 28.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.56 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . 0.614 ' NH1' ' NE2' ' B' ' 149' ' ' GLN . 25.2 ttt85 -170.32 104.59 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.162 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 13.1 mt -87.39 128.09 35.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.07 0.462 . . . . 0.0 110.903 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.7 mt -123.05 142.4 39.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.084 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -146.39 104.4 3.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.815 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 65.7 72.65 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 38.64 43.14 1.56 Allowed Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -148.57 119.36 7.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.884 0.373 . . . . 0.0 110.535 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . 0.614 ' NE2' ' NH1' ' B' ' 142' ' ' ARG . 24.5 tt0 -80.23 124.85 29.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.317 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 14.5 mt -79.42 128.48 33.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.661 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -75.4 162.01 28.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.644 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.22 -34.11 49.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.707 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -88.86 41.29 3.04 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -139.68 146.89 40.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.756 0.312 . . . . 0.0 110.468 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 155' ' ' THR . . . . . 0.457 ' C ' ' H ' ' B' ' 157' ' ' SER . 15.8 p -94.81 164.43 12.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.881 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 79.8 mt -66.6 2.15 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.64 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 157' ' ' SER . . . . . 0.457 ' H ' ' C ' ' B' ' 155' ' ' THR . 85.4 p -96.46 -27.57 14.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.521 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -78.54 15.28 1.04 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.567 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . 0.405 ' H ' ' C ' ' B' ' 157' ' ' SER . 54.9 m-85 -140.57 5.49 2.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.534 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 60.98 25.91 15.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.698 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 84.5 mt -77.55 99.64 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.517 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -82.86 -157.21 0.21 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.665 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -83.59 160.2 21.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.779 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 55.79 23.08 6.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.734 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 28.9 m -85.21 135.74 33.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.499 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 8.0 m -84.51 152.49 23.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.532 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.1 mt -140.09 132.49 28.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.307 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 168' ' ' HIS . . . . . 0.736 ' H ' ' HD1' ' B' ' 168' ' ' HIS . 0.1 OUTLIER -88.58 100.12 12.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.47 -179.834 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 46.1 tp -84.79 133.49 34.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.862 0.363 . . . . 0.0 110.673 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.5 t -133.9 142.44 41.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.498 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . 0.488 ' N ' ' CD1' ' B' ' 171' ' ' LEU . 8.0 mp -80.49 105.19 11.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.571 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -57.69 105.11 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.529 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 173' ' ' LEU . . . . . 0.416 ' CD2' ' HE2' ' A' ' 44' ' ' HIS . 23.8 mt -72.83 167.93 19.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.533 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -59.56 137.79 57.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.528 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 160.78 83.37 0.05 OUTLIER Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.707 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 201' ' ' MET . . . . . 0.517 ' N ' ' O ' ' C' ' 217' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 202' ' ' GLN . . . . . 0.411 ' O ' ' OE1' ' C' ' 264' ' ' GLU . 16.1 mt-30 -86.72 119.2 26.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.544 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 15.8 pt -112.47 145.12 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.626 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -99.31 143.03 30.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.439 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 75.9 t -124.63 114.45 40.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.396 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 7.7 tptp -80.37 143.14 33.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.585 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 6.8 p -112.07 175.25 5.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.485 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 208' ' ' LEU . . . . . 0.623 ' CD2' ' H ' ' C' ' 208' ' ' LEU . 0.5 OUTLIER -83.54 23.89 0.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.424 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 209' ' ' THR . . . . . 0.527 ' C ' ' H ' ' C' ' 211' ' ' LYS . 9.3 p -136.52 26.03 3.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.553 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 67.87 -8.82 1.64 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 211' ' ' LYS . . . . . 0.527 ' H ' ' C ' ' C' ' 209' ' ' THR . 46.0 tttm -76.05 161.74 28.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.55 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 212' ' ' THR . . . . . 0.448 ' N ' ' CG ' ' C' ' 211' ' ' LYS . 54.3 m -136.27 160.48 38.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.474 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 2.2 mt -141.1 125.98 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.604 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 4.9 m -99.35 126.06 45.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.365 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 38.0 mt -131.86 138.72 48.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.877 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 216' ' ' GLU . . . . . 0.538 ' H ' ' CD ' ' C' ' 216' ' ' GLU . 17.1 mp0 -84.15 125.64 32.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.122 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 217' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' C' ' 201' ' ' MET . 10.8 m -146.69 179.27 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.964 0.411 . . . . 0.0 110.874 -179.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 218' ' ' GLU . . . . . 0.52 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 83.7 mt-10 -135.62 150.07 70.96 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.966 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.92 -22.48 2.02 Favored 'Trans proline' 0 C--N 1.31 -1.462 0 C-N-CA 122.532 2.155 . . . . 0.0 112.344 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.3 p -92.94 11.27 27.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.057 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 221' ' ' ASP . . . . . 0.52 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 7.9 m-20 -84.05 134.31 34.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 110.303 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 222' ' ' THR . . . . . 0.483 ' O ' ' N ' ' C' ' 225' ' ' ASN . 6.9 p -84.17 134.4 34.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.805 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 223' ' ' ILE . . . . . 0.411 HG23 HD11 ' C' ' 223' ' ' ILE . 31.3 mm -43.84 -45.23 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.16 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -55.76 -34.15 64.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.068 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 225' ' ' ASN . . . . . 0.504 ' C ' HD21 ' C' ' 225' ' ' ASN . 0.2 OUTLIER -66.94 -39.26 87.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.994 179.474 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 14.8 t -65.29 -47.68 86.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.235 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -55.96 -37.31 68.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.243 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -66.48 -38.2 86.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.402 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -64.16 -42.52 96.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.478 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 59.4 mt -68.73 -29.59 44.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.497 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 231' ' ' GLN . . . . . 0.432 ' O ' ' OE1' ' C' ' 231' ' ' GLN . 0.6 OUTLIER -73.15 -22.65 60.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.196 179.819 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -83.54 -36.07 24.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.598 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -83.35 -66.4 0.9 Allowed 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.318 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -68.19 -114.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.551 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -172.9 13.37 0.04 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 236' ' ' ILE . . . . . 0.523 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 15.2 mt -93.25 112.9 58.37 Favored Pre-proline 0 CA--C 1.532 0.277 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -62.28 155.46 56.79 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 121.564 1.509 . . . . 0.0 111.774 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 238' ' ' PRO . . . . . 0.522 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.7 Cg_endo -46.3 -67.82 0.11 Allowed 'Trans proline' 0 C--N 1.309 -1.526 0 C-N-CA 122.696 2.264 . . . . 0.0 112.015 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -42.29 -20.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.831 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 240' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' C' ' 238' ' ' PRO . 32.3 mt-30 -108.39 33.8 3.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.646 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 241' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 58.0 mt-30 -134.37 162.8 31.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.46 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 242' ' ' ARG . . . . . 0.626 ' NE ' ' NE2' ' C' ' 249' ' ' GLN . 18.9 ttm180 -170.26 116.52 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.473 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 17.5 mt -97.89 132.44 43.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.732 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.5 mt -126.16 142.72 41.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.5 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 245' ' ' PHE . . . . . 0.48 ' O ' ' CB ' ' C' ' 246' ' ' ALA . 60.7 t80 -143.36 93.02 2.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.604 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 246' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' C' ' 245' ' ' PHE . . . 81.18 52.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.65 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 247' ' ' GLY . . . . . 0.429 ' N ' ' SG ' ' D' ' 331' ' ' CYS . . . 72.48 -41.82 0.82 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 248' ' ' LYS . . . . . 0.458 ' H ' ' C ' ' C' ' 246' ' ' ALA . 7.0 ptpt -70.68 137.78 50.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.942 0.401 . . . . 0.0 110.84 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 249' ' ' GLN . . . . . 0.626 ' NE2' ' NE ' ' C' ' 242' ' ' ARG . 32.0 tt0 -91.91 143.71 26.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.289 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 11.6 mt -89.23 125.57 35.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.767 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 251' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' C' ' 251' ' ' GLU . 0.6 OUTLIER -68.91 162.21 27.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.612 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.72 -33.58 31.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.857 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -92.52 41.45 2.76 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 22.9 mmt-85 -139.74 170.58 15.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.669 0.271 . . . . 0.0 110.314 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 255' ' ' THR . . . . . 0.421 ' OG1' ' OD1' ' C' ' 258' ' ' ASP . 23.5 p -113.48 163.66 14.62 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.691 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 88.5 mt -58.7 -39.38 80.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.699 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 257' ' ' SER . . . . . 0.523 ' C ' ' H ' ' C' ' 259' ' ' TYR . 14.6 t -59.42 -33.66 71.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 258' ' ' ASP . . . . . 0.421 ' OD1' ' OG1' ' C' ' 255' ' ' THR . 5.5 m-20 -71.7 15.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.731 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 259' ' ' TYR . . . . . 0.523 ' H ' ' C ' ' C' ' 257' ' ' SER . 54.8 m-85 -140.71 5.92 2.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.577 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 260' ' ' ASN . . . . . 0.524 ' ND2' ' OE1' ' B' ' 149' ' ' GLN . 53.9 t30 60.83 27.24 17.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.787 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 82.5 mt -80.49 105.98 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.449 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -83.26 -157.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -85.65 157.64 20.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.745 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 264' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' C' ' 202' ' ' GLN . 6.0 mm-40 58.57 32.1 21.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.847 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 29.6 m -84.37 128.28 34.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.531 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 8.0 m -91.86 93.04 8.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.647 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 267' ' ' LEU . . . . . 0.525 ' C ' ' HD1' ' C' ' 268' ' ' HIS . 2.4 mp -78.62 168.73 19.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.591 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 268' ' ' HIS . . . . . 0.617 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.1 OUTLIER -114.98 111.75 21.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.179 179.712 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 42.2 tp -89.8 131.4 35.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.365 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -136.38 141.93 39.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.441 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 271' ' ' LEU . . . . . 0.456 ' CD1' ' N ' ' C' ' 271' ' ' LEU . 8.3 mp -80.36 99.46 7.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.297 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 272' ' ' ARG . . . . . 0.616 ' CD ' HH21 ' C' ' 242' ' ' ARG . 24.0 ttm180 -56.72 110.91 0.87 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.476 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 273' ' ' LEU . . . . . . . . . . . . . 11.8 mt -86.09 68.79 10.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.496 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.601 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.819 0.342 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.84 92.91 4.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.55 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 13.8 mt -87.58 41.38 0.98 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.519 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 65.8 m -86.09 18.37 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.636 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -147.44 18.57 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.589 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -91.56 173.83 7.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.497 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -116.67 163.72 15.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.347 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -61.26 -49.35 77.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.622 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.72 96.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.712 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -57.38 -58.54 7.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.486 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 16.1 mt -52.87 -61.58 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.54 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 324' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -53.07 -51.86 60.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.436 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 325' ' ' ASP . . . . . 0.54 ' O ' ' N ' ' D' ' 329' ' ' THR . 6.6 t70 -53.32 -51.14 63.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.475 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 326' ' ' THR . . . . . 0.553 ' O ' ' N ' ' D' ' 330' ' ' SER . 53.2 m -51.18 -48.05 62.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.704 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 97.4 mt -66.46 -27.81 41.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.481 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 328' ' ' ASN . . . . . 0.666 ' N ' HD21 ' D' ' 328' ' ' ASN . 0.7 OUTLIER -99.64 1.06 43.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.277 -179.358 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.54 ' N ' ' O ' ' D' ' 325' ' ' ASP . 70.6 p -133.95 -6.24 2.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.608 0.242 . . . . 0.0 110.881 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 330' ' ' SER . . . . . 0.553 ' N ' ' O ' ' D' ' 326' ' ' THR . 3.0 t -118.11 170.84 8.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.984 0.421 . . . . 0.0 110.734 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 331' ' ' CYS . . . . . 0.45 ' H ' ' HG ' ' D' ' 330' ' ' SER . 1.2 p -137.2 18.87 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.247 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -83.01 91.76 7.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.252 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 3.4 mm -38.1 -44.18 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.816 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 334' ' ' GLU . . . . . 0.544 ' CD ' ' H ' ' D' ' 334' ' ' GLU . 20.8 mp0 -53.87 -58.8 5.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.35 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 7.9 mt -54.72 -45.14 74.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.33 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 67.2 mt -50.59 -48.06 57.88 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.113 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.26 -49.26 77.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.275 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -62.44 -53.51 53.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.168 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 339' ' ' CYS . . . . . 0.464 ' O ' ' OE2' ' D' ' 342' ' ' GLU . 97.7 m -52.23 -35.82 50.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.164 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 17.7 mtp-105 -76.22 -30.74 58.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.078 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 341' ' ' GLU . . . . . 0.426 ' CG ' ' N ' ' D' ' 342' ' ' GLU . 1.7 pt-20 -69.27 -43.41 73.97 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.089 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 342' ' ' GLU . . . . . 0.47 ' CD ' ' N ' ' D' ' 343' ' ' PHE . 3.0 pp20? -73.01 -40.21 65.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.798 179.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 343' ' ' PHE . . . . . 0.47 ' N ' ' CD ' ' D' ' 342' ' ' GLU . 8.3 t80 -59.54 -39.43 83.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.211 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -72.85 -56.36 5.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.501 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 345' ' ' ARG . . . . . 0.436 ' NH2' ' CB ' ' D' ' 342' ' ' GLU . 0.6 OUTLIER -46.61 -43.37 17.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.224 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.456 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.505 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 8.5 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.772 0.32 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.71 92.86 5.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.481 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.9 mt -100.6 43.41 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.505 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.1 m -84.66 4.32 32.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.707 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.8 mttm -146.64 66.39 1.17 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.61 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -127.94 164.78 21.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.329 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -114.71 170.98 7.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.51 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -66.27 -45.56 80.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.511 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.81 80.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.662 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.433 ' O ' ' OG1' ' A' ' 26' ' ' THR . 94.3 mt-10 -68.45 -55.01 13.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.627 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.3 mt -58.2 -56.97 15.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.519 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.687 HH12 ' HE ' ' B' ' 172' ' ' ARG . 0.1 OUTLIER -53.05 -52.58 58.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.45 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.524 ' OD2' ' CE1' ' C' ' 245' ' ' PHE . 4.4 t70 -54.72 -50.26 68.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.484 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.553 ' O ' ' N ' ' A' ' 30' ' ' SER . 22.9 m -51.44 -46.66 63.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 88.4 mt -73.33 -25.64 21.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.894 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.661 HD21 ' N ' ' A' ' 28' ' ' ASN . 0.7 OUTLIER -89.58 -7.6 54.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.091 -179.698 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 21.9 p -129.97 -47.12 1.13 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.212 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.553 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.2 t -65.0 164.43 12.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.984 0.421 . . . . 0.0 111.168 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.441 ' SG ' ' CG2' ' B' ' 144' ' ' ILE . 85.2 m -141.94 40.43 1.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.406 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -111.01 99.91 8.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.774 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.526 ' H ' ' CD1' ' A' ' 33' ' ' ILE . 1.2 mp -39.92 -43.01 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.677 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.508 ' H ' ' CD ' ' A' ' 34' ' ' GLU . 24.5 mp0 -55.42 -58.9 5.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.232 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.477 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 11.6 mt -58.59 -50.33 74.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.089 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 68.8 mt -50.42 -44.62 55.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.52 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.43 -49.22 74.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.582 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.0 -43.39 98.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.516 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.477 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 60.5 m -58.78 -51.78 68.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.381 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.1 mtp-105 -60.03 -38.17 81.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.393 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -58.23 -57.95 10.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.771 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -63.16 -35.64 80.98 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.652 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -58.88 -41.56 87.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.205 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -71.21 -53.55 14.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.471 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 -45.85 -50.04 14.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.379 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 70.8 mtt-85 -50.35 -40.19 48.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.476 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 56.6 mt -74.13 -36.26 64.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.512 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -78.78 -76.42 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.541 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.7 p -95.08 132.19 39.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.568 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -166.17 61.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.535 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.572 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.521 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -88.71 114.12 24.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.524 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 20.3 pt -104.06 149.18 8.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.621 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -101.18 145.73 28.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.515 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 44.7 t -126.05 107.42 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.031 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -96.72 124.38 40.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.747 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 41.3 p -86.32 -160.34 0.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.437 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.614 ' CD2' ' H ' ' B' ' 108' ' ' LEU . 0.5 OUTLIER -83.76 -34.12 24.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.351 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 5.0 p -78.96 4.32 14.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.526 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.48 21.02 60.92 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -81.8 112.7 19.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.765 0.317 . . . . 0.0 110.612 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 6.8 m -95.69 135.65 37.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.504 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 3.5 mt -132.64 129.59 58.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.64 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 4.5 m -95.83 125.44 40.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.432 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 27.5 mt -131.59 133.62 45.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.691 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -79.4 123.43 27.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.319 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . 0.521 ' O ' ' N ' ' B' ' 101' ' ' MET . 6.4 m -147.12 -179.74 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.951 0.405 . . . . 0.0 110.778 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.523 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 81.5 mt-10 -136.53 150.43 70.36 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.904 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.3 -25.86 3.49 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.537 2.158 . . . . 0.0 112.44 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.4 p -90.06 11.45 20.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.127 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . 0.523 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 6.5 m-20 -83.48 133.98 34.87 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.272 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' THR . . . . . 0.448 ' O ' ' N ' ' B' ' 125' ' ' ASN . 8.1 p -84.27 135.09 34.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.829 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . 0.432 HG21 HD13 ' B' ' 123' ' ' ILE . 28.8 mm -43.27 -43.14 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.133 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -56.49 -39.24 72.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.022 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.508 ' OD1' ' NZ ' ' B' ' 129' ' ' LYS . 36.2 t-20 -62.99 -37.91 89.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.869 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 16.0 t -64.74 -55.21 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.946 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -47.51 -39.03 15.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.212 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.38 91.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.397 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.508 ' NZ ' ' OD1' ' B' ' 125' ' ' ASN . 60.4 mttp -57.96 -42.49 85.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.433 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 4.7 mt -64.07 -48.82 84.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.376 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.8 OUTLIER -54.08 -26.85 29.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.378 179.847 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -80.31 -29.8 38.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.449 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -80.13 -66.28 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.513 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -81.22 -108.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.627 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -169.37 9.63 0.05 OUTLIER Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.418 ' O ' ' OE1' ' B' ' 141' ' ' GLN . 21.5 mt -80.66 115.47 55.6 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -62.4 153.2 72.33 Favored 'Trans proline' 0 C--N 1.315 -1.186 0 C-N-CA 121.448 1.432 . . . . 0.0 111.612 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.5 Cg_endo -47.86 -67.89 0.1 Allowed 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.515 2.143 . . . . 0.0 112.058 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -43.97 -23.1 0.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.181 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -99.64 28.81 4.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.916 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' B' ' 138' ' ' PRO . 21.7 mt-30 -134.62 145.27 48.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.943 0.401 . . . . 0.0 110.787 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . 0.579 ' NE ' ' NE2' ' B' ' 149' ' ' GLN . 8.0 ttt180 -150.52 114.22 4.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.961 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.0 mt -91.01 134.79 34.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.224 0.535 . . . . 0.0 111.301 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . 0.441 ' CG2' ' SG ' ' A' ' 31' ' ' CYS . 2.6 mt -131.02 134.85 61.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.048 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . 0.521 ' CD1' ' O ' ' B' ' 166' ' ' THR . 43.6 t80 -150.83 161.98 41.63 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.75 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 41.77 29.39 0.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.759 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 66.48 37.46 92.68 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' B' ' 145' ' ' PHE . 24.5 mtpp -145.73 136.61 24.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.804 0.335 . . . . 0.0 110.586 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . 0.579 ' NE2' ' NE ' ' B' ' 142' ' ' ARG . 18.7 tt0 -79.56 124.62 28.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.139 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 10.0 mt -81.23 126.74 31.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.357 . . . . 0.0 110.768 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . 0.408 ' OE2' ' OD1' ' C' ' 260' ' ' ASN . 11.8 mm-40 -73.54 161.35 30.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.538 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.13 -27.0 39.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -97.35 41.15 2.37 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.286 -0.725 . . . . 0.0 111.286 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -139.64 171.91 13.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 25.3 p -114.81 163.97 14.75 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.876 0.369 . . . . 0.0 110.793 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 90.2 mt -59.9 -38.03 81.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.651 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 157' ' ' SER . . . . . 0.506 ' C ' ' H ' ' B' ' 159' ' ' TYR . 54.7 p -62.18 -32.15 72.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.692 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -71.95 15.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.753 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . 0.506 ' H ' ' C ' ' B' ' 157' ' ' SER . 52.3 m-85 -140.61 7.42 2.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.543 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 64.9 t30 61.25 24.71 14.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.763 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 96.7 mt -78.15 104.21 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.462 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -81.9 -159.04 0.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.749 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -85.73 158.64 19.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.763 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 55.67 28.6 12.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.803 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 19.7 m -93.85 134.72 35.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.523 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 166' ' ' THR . . . . . 0.521 ' O ' ' CD1' ' B' ' 145' ' ' PHE . 5.9 m -78.18 156.37 29.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.407 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.1 mt -140.07 114.21 9.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.251 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 168' ' ' HIS . . . . . 0.824 ' N ' ' HD1' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -70.07 102.65 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.172 -179.863 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 42.8 tp -87.28 132.57 33.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.354 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.5 t -127.46 142.54 43.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.377 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 8.7 mp -79.49 97.12 6.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.437 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . 0.687 ' HE ' HH12 ' A' ' 24' ' ' ARG . 0.0 OUTLIER -60.13 94.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.304 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 23.9 mt -61.57 128.06 34.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.591 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 174' ' ' ARG . . . . . 0.438 ' CG ' ' H ' ' B' ' 175' ' ' GLY . 12.7 ttt85 53.31 -137.36 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.484 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 175' ' ' GLY . . . . . 0.438 ' H ' ' CG ' ' B' ' 174' ' ' ARG . . . 152.95 40.0 0.02 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.676 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 201' ' ' MET . . . . . 0.507 ' SD ' ' CG2' ' C' ' 217' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 202' ' ' GLN . . . . . 0.422 ' H ' ' HG2' ' C' ' 201' ' ' MET . 53.1 mt-30 -156.54 94.16 1.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.468 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 7.3 pt -104.14 149.7 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.768 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -103.58 143.88 32.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.488 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 45.3 t -127.66 116.55 43.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.637 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -97.56 129.5 44.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.554 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 32.2 p -88.11 -149.67 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.385 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 208' ' ' LEU . . . . . 0.608 ' CD2' ' H ' ' C' ' 208' ' ' LEU . 0.7 OUTLIER -82.99 -54.58 4.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.386 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 73.3 p -63.76 2.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.647 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 210' ' ' GLY . . . . . 0.496 ' H ' ' C ' ' C' ' 208' ' ' LEU . . . 83.71 21.37 58.02 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -77.92 116.61 18.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.447 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 6.0 m -91.12 145.32 24.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.568 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 2.9 mt -140.0 127.04 23.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.484 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 6.2 m -91.88 126.63 37.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.238 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 30.9 mt -129.88 140.44 50.98 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.884 0.373 . . . . 0.0 110.845 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -91.87 128.09 37.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.146 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 217' ' ' VAL . . . . . 0.507 ' CG2' ' SD ' ' C' ' 201' ' ' MET . 17.2 m -148.65 -159.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.06 0.457 . . . . 0.0 110.882 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 218' ' ' GLU . . . . . 0.53 ' C ' ' H ' ' C' ' 220' ' ' SER . 42.7 mt-10 -151.35 146.5 19.05 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.823 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -50.34 -4.68 0.06 OUTLIER 'Trans proline' 0 C--N 1.309 -1.532 0 C-N-CA 122.357 2.038 . . . . 0.0 112.448 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 220' ' ' SER . . . . . 0.53 ' H ' ' C ' ' C' ' 218' ' ' GLU . 1.7 p -109.72 9.54 24.87 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.662 0.268 . . . . 0.0 110.949 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 221' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -82.69 138.08 34.23 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.367 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 222' ' ' THR . . . . . 0.431 ' O ' ' N ' ' C' ' 225' ' ' ASN . 5.0 p -84.17 133.97 34.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.785 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 223' ' ' ILE . . . . . 0.437 HG23 HD12 ' C' ' 223' ' ' ILE . 27.6 mm -43.6 -40.4 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.254 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -58.77 -39.61 81.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.296 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 225' ' ' ASN . . . . . 0.502 ' C ' HD21 ' C' ' 225' ' ' ASN . 0.1 OUTLIER -64.14 -40.15 95.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.089 179.629 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 21.0 t -63.1 -49.06 84.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.005 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -52.84 -39.7 62.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.156 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.15 -42.39 99.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.26 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -59.11 -42.54 90.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.256 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 8.7 mt -65.97 -33.97 67.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.242 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -66.07 -27.37 68.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.293 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -82.24 -26.36 33.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.66 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 45.0 mmtt -84.6 -64.56 1.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.619 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -82.27 -106.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.699 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -176.17 20.2 0.05 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 236' ' ' ILE . . . . . 0.445 ' O ' ' OE1' ' C' ' 241' ' ' GLN . 23.3 mt -98.34 110.06 54.91 Favored Pre-proline 0 C--N 1.331 -0.236 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -64.53 152.96 79.66 Favored 'Trans proline' 0 N--CA 1.489 1.233 0 C-N-CA 121.524 1.483 . . . . 0.0 111.721 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 238' ' ' PRO . . . . . 0.517 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.8 Cg_endo -47.41 -63.57 0.31 Allowed 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.58 2.187 . . . . 0.0 111.947 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -43.47 -19.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.615 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 240' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' C' ' 238' ' ' PRO . 29.6 mt-30 -110.18 33.97 4.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.54 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 241' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' C' ' 238' ' ' PRO . 32.9 mt-30 -134.44 162.67 31.59 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.997 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 242' ' ' ARG . . . . . 0.67 HH21 ' NH2' ' D' ' 324' ' ' ARG . 5.3 mtt85 -162.56 98.12 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.852 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 12.8 mt -82.1 127.63 33.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.044 0.45 . . . . 0.0 111.08 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.6 mt -128.75 125.21 62.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.129 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 245' ' ' PHE . . . . . 0.524 ' CE1' ' OD2' ' A' ' 25' ' ' ASP . 82.6 t80 -115.79 74.37 0.89 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.031 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 70.57 88.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 247' ' ' GLY . . . . . 0.56 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 42.84 26.97 0.51 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.134 -0.787 . . . . 0.0 111.134 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 21.7 mmtm -131.58 95.39 3.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.723 0.297 . . . . 0.0 110.54 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 249' ' ' GLN . . . . . 0.526 HE22 ' HE ' ' C' ' 242' ' ' ARG . 42.7 tt0 -71.86 120.89 18.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.084 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 12.0 mt -80.01 131.13 35.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.798 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -77.69 160.76 28.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.487 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 252' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' C' ' 252' ' ' ASP . 0.3 OUTLIER -81.81 -28.95 32.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.806 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -96.84 39.85 2.7 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 26.1 mmt-85 -139.67 171.54 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 30.1 p -113.61 166.07 11.89 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.878 0.371 . . . . 0.0 110.685 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 50.1 mt -60.22 -40.94 91.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.706 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 257' ' ' SER . . . . . 0.516 ' C ' ' H ' ' C' ' 259' ' ' TYR . 5.0 t -56.22 -33.75 65.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -71.6 16.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.701 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 259' ' ' TYR . . . . . 0.516 ' H ' ' C ' ' C' ' 257' ' ' SER . 63.8 m-85 -140.61 6.59 2.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.555 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 260' ' ' ASN . . . . . 0.51 ' ND2' ' N ' ' C' ' 260' ' ' ASN . 1.4 m120 58.58 27.96 16.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.739 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 87.1 mt -79.03 102.7 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.511 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 262' ' ' GLN . . . . . 0.647 HE22 HH22 ' A' ' 24' ' ' ARG . 29.0 mt-30 -80.17 -163.84 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.68 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -83.51 157.29 22.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.756 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 60.76 21.31 11.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.718 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 30.2 m -85.99 137.33 32.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.585 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 7.0 m -86.45 157.63 19.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.418 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 7.5 mt -139.01 149.87 45.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.303 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 268' ' ' HIS . . . . . 0.624 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -107.16 95.99 6.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.518 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 40.7 tp -82.34 131.54 35.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.455 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 4.9 t -123.18 147.38 27.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.807 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 271' ' ' LEU . . . . . 0.433 ' CB ' ' NH1' ' D' ' 340' ' ' ARG . 0.5 OUTLIER -81.44 97.83 7.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.086 179.641 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 272' ' ' ARG . . . . . 0.668 ' HE ' HH22 ' C' ' 242' ' ' ARG . 68.3 ttt180 -62.69 117.2 5.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.622 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 273' ' ' LEU . . . . . . . . . . . . . 11.0 mt -88.57 -178.31 5.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.59 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 32.2 mtt-85 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.55 -179.943 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.832 0.349 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.91 92.89 4.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.655 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 18.8 mt -99.12 32.7 2.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.464 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 13.2 t -79.25 2.28 21.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.683 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 317' ' ' LYS . . . . . 0.498 ' CB ' ' NZ ' ' D' ' 317' ' ' LYS . 5.3 mtmp? -139.0 63.0 1.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.714 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -128.09 163.22 25.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.41 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -103.79 160.26 14.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.656 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -58.44 -51.38 70.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.607 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.64 95.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.742 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -53.35 -49.31 67.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.62 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.65 -56.95 13.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.589 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 324' ' ' ARG . . . . . 0.67 ' NH2' HH21 ' C' ' 242' ' ' ARG . 10.0 tpt85 -53.05 -48.09 67.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.524 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 325' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' D' ' 329' ' ' THR . 1.1 m-20 -58.89 -49.78 76.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.401 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 326' ' ' THR . . . . . 0.507 ' O ' ' N ' ' D' ' 330' ' ' SER . 93.8 m -51.59 -43.94 62.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.497 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 327' ' ' ILE . . . . . 0.448 HG22 HD11 ' D' ' 327' ' ' ILE . 90.6 mt -71.83 -29.1 32.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.517 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 328' ' ' ASN . . . . . 0.508 ' OD1' ' NE ' ' C' ' 242' ' ' ARG . 42.0 m-80 -96.99 2.42 51.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.524 ' N ' ' O ' ' D' ' 325' ' ' ASP . 75.8 p -131.87 -17.14 2.83 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.966 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 330' ' ' SER . . . . . 0.507 ' N ' ' O ' ' D' ' 326' ' ' THR . 1.6 t -111.44 165.75 11.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.97 0.414 . . . . 0.0 110.913 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 331' ' ' CYS . . . . . 0.56 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 29.4 t -134.8 25.48 3.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.344 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 332' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' D' ' 333' ' ' ILE . 11.6 m-20 -87.66 91.61 8.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.331 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' D' ' 332' ' ' ASP . 3.2 mt -38.66 -38.57 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.731 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 334' ' ' GLU . . . . . 0.544 ' CD ' ' H ' ' D' ' 334' ' ' GLU . 3.6 mp0 -58.46 -58.92 6.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.272 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 335' ' ' LEU . . . . . 0.485 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 11.9 mt -58.01 -43.02 86.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.047 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 77.0 mt -52.73 -44.78 66.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.447 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -66.44 -49.22 67.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.276 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -60.61 -41.34 94.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.249 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 339' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 76.4 m -61.83 -53.81 50.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.083 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 340' ' ' ARG . . . . . 0.498 ' O ' ' CD2' ' D' ' 344' ' ' HIS . 10.4 mtp85 -53.09 -40.28 63.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.185 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -59.46 -61.05 2.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.632 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 342' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -62.51 -36.54 82.88 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.417 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -63.66 -33.38 75.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.063 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 344' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' D' ' 340' ' ' ARG . 37.3 m170 -73.69 -45.57 51.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.433 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 62.0 mtp85 -58.63 -43.77 89.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.561 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 14.2 mtp85 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.807 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.768 0.318 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.421 ' OD1' ' OG ' ' A' ' 16' ' ' SER . 13.3 t0 -79.62 92.95 5.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.503 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.5 mt -95.6 37.01 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.595 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.421 ' OG ' ' OD1' ' A' ' 14' ' ' ASP . 87.3 p -86.31 18.47 3.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.673 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.6 mttp -147.2 40.88 1.06 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.619 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -110.38 168.98 9.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.514 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -123.86 155.38 38.14 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.371 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.519 ' OH ' ' N ' ' B' ' 176' ' ' GLY . 54.7 t80 -45.45 -54.32 7.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.581 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.64 -50.0 66.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.748 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -53.62 -58.27 7.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.799 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.0 mt -57.25 -57.06 14.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.784 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.516 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 5.1 tpt180 -53.05 -44.98 67.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.632 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.449 ' O ' ' OG1' ' A' ' 29' ' ' THR . 12.8 m-20 -60.86 -49.52 77.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.451 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 30' ' ' SER . 26.3 m -55.31 -41.42 72.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.556 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.417 HG23 HD13 ' A' ' 27' ' ' ILE . 96.7 mt -77.02 -22.51 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.667 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.573 HD21 ' N ' ' A' ' 28' ' ' ASN . 0.9 OUTLIER -96.7 -4.95 39.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.138 -179.596 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 41.3 p -131.05 -36.34 1.33 Allowed 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.011 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.4 OUTLIER -86.95 155.96 19.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.987 0.422 . . . . 0.0 111.134 -179.501 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.566 ' SG ' ' CG ' ' B' ' 168' ' ' HIS . 33.4 t -128.47 30.25 5.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.217 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 33' ' ' ILE . 6.7 m-20 -91.58 92.71 8.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.455 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 32' ' ' ASP . 2.6 mt -38.64 -41.31 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.882 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -56.07 -58.87 6.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.265 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.6 mt -58.78 -46.03 88.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.031 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.0 mt -50.43 -45.01 55.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.177 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.29 -49.12 73.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.259 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.35 -42.66 92.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.26 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 72.6 m -62.66 -53.54 52.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.134 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.3 mtp85 -52.85 -38.67 61.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.155 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.37 -60.82 3.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.711 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -62.53 -36.37 82.37 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.696 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -60.44 -41.4 93.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.405 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.459 ' HE2' ' CD2' ' B' ' 173' ' ' LEU . 9.2 m-70 -74.31 -55.24 6.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.48 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -45.88 -44.07 14.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.496 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 64.1 mtt-85 -55.04 -28.06 49.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.483 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 44' ' ' HIS . 15.8 mt -93.43 -53.71 3.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.544 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.519 ' C ' ' H ' ' A' ' 50' ' ' TYR . 78.2 tttt -51.78 -39.78 59.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.666 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.86 0.38 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.498 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.519 ' H ' ' C ' ' A' ' 48' ' ' LYS . 39.1 t80 -113.1 44.5 1.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.531 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.522 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 12.8 t-80 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.534 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.546 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -83.75 113.94 21.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.414 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 17.7 pt -103.99 142.39 17.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.691 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -95.67 129.91 42.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.636 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 94.7 t -112.68 108.62 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.028 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -82.26 130.35 35.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.752 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' B' ' 111' ' ' LYS . 66.6 p -98.5 -178.11 3.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.365 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.626 ' CD2' ' H ' ' B' ' 108' ' ' LEU . 0.7 OUTLIER -81.32 -26.63 35.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.383 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 7.3 p -81.52 7.4 12.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.52 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.02 1.33 89.89 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.429 ' O ' ' OG1' ' B' ' 107' ' ' THR . 51.2 tttm -84.24 125.67 32.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.815 0.341 . . . . 0.0 110.613 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.6 m -101.37 150.45 23.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.353 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 5.9 mt -132.75 132.65 59.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.565 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 8.8 m -98.42 105.82 18.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.573 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.587 ' CD2' ' N ' ' B' ' 115' ' ' LEU . 2.0 mm? -102.25 129.18 48.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.636 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -82.95 118.96 23.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.782 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . 0.546 ' O ' ' N ' ' B' ' 101' ' ' MET . 11.5 m -146.28 -159.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.218 0.532 . . . . 0.0 111.293 -179.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.593 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 2.2 mt-10 -150.5 170.97 6.94 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . 0.425 ' O ' ' OG ' ' B' ' 157' ' ' SER . 3.5 Cg_exo -71.37 -4.82 15.72 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.121 1.881 . . . . 0.0 112.397 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.9 p -109.16 3.4 21.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.738 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . 0.593 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 0.4 OUTLIER -77.27 139.15 39.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.416 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 18.7 p -84.96 137.36 33.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.933 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 25.9 mm -45.55 -50.01 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.265 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -49.46 -40.36 36.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.257 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.92 -40.77 98.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.085 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 42.5 t -62.43 -42.96 97.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.04 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' B' ' 141' ' ' GLN . 85.5 mttt -58.52 -37.88 76.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.307 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.87 -43.62 92.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.344 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -59.46 -51.52 69.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.433 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 69.3 mt -56.46 -46.79 82.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.345 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . 0.429 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.7 OUTLIER -53.99 -32.26 53.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.123 179.713 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -70.23 -38.39 75.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.348 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -71.26 -62.92 1.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.216 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -82.55 -116.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.603 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -165.08 9.51 0.07 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 53.3 mt -79.86 117.02 65.25 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.57 152.57 67.5 Favored 'Trans proline' 0 C--N 1.314 -1.264 0 C-N-CA 121.475 1.45 . . . . 0.0 111.56 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.492 ' O ' ' N ' ' B' ' 140' ' ' GLN . 2.7 Cg_endo -47.03 -67.78 0.11 Allowed 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.567 2.178 . . . . 0.0 112.013 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.1 -21.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' B' ' 138' ' ' PRO . 26.7 mt-30 -105.36 34.21 3.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.774 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' B' ' 138' ' ' PRO . 63.8 mt-30 -134.54 96.81 3.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.894 0.378 . . . . 0.0 110.673 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . 0.517 HH11 ' CD ' ' B' ' 149' ' ' GLN . 29.7 ttm-85 -101.62 112.57 25.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.248 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 15.5 mt -92.62 132.31 36.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.722 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.6 mt -127.3 143.66 39.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.457 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -149.17 105.41 3.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.713 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 65.56 70.57 0.44 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.78 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 39.9 44.82 2.79 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -150.07 120.15 7.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.837 0.351 . . . . 0.0 110.652 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . 0.517 ' CD ' HH11 ' B' ' 142' ' ' ARG . 8.0 tt0 -80.45 124.33 28.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.988 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 10.3 mt -75.98 139.37 41.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.952 0.406 . . . . 0.0 110.847 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -79.32 160.44 26.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.626 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.11 -24.13 24.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.719 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -100.42 40.65 2.36 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -139.52 172.5 12.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.702 0.287 . . . . 0.0 110.373 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 11.6 p -109.86 168.33 9.5 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.738 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.33 -35.8 82.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.744 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 157' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' B' ' 119' ' ' PRO . 5.0 p -60.42 -44.38 95.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.601 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -48.3 -39.91 23.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.689 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -90.42 21.15 4.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.54 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 45.13 33.39 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 80.8 mt -80.12 110.82 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.37 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -82.57 -161.46 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.73 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -85.71 156.05 20.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 57.26 31.64 20.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.903 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 70.4 m -81.64 140.51 34.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.52 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 5.4 m -91.75 96.07 10.22 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.493 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.2 mt -85.68 124.53 32.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.654 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 168' ' ' HIS . . . . . 0.718 ' H ' ' HD1' ' B' ' 168' ' ' HIS . 0.4 OUTLIER -79.35 100.46 7.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.383 179.761 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 64.0 tp -81.68 145.33 30.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 0.0 110.749 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.6 t -145.35 154.99 13.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.198 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 7.6 mp -94.09 106.34 18.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.441 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -59.17 106.83 0.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.561 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 173' ' ' LEU . . . . . 0.459 ' CD2' ' HE2' ' A' ' 44' ' ' HIS . 17.5 mt -81.31 103.9 11.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.478 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 16.0 ptt-85 -44.05 143.37 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.736 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 155.0 -154.87 25.83 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 176' ' ' GLY . . . . . 0.519 ' N ' ' OH ' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 201' ' ' MET . . . . . 0.522 ' N ' ' O ' ' C' ' 217' ' ' VAL . 26.6 ttp . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 202' ' ' GLN . . . . . 0.516 HE22 ' CG ' ' C' ' 216' ' ' GLU . 4.4 mp0 -68.92 130.51 42.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.485 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 11.9 pt -136.05 142.14 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.345 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -94.03 138.55 31.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.784 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 31.9 t -121.89 105.19 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.998 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -82.0 157.05 24.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.681 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 23.7 p -125.88 -174.71 3.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.442 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 208' ' ' LEU . . . . . 0.617 ' CD2' ' H ' ' C' ' 208' ' ' LEU . 0.8 OUTLIER -79.86 -25.01 40.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.399 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 8.9 p -82.52 2.8 31.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.581 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 84.62 3.84 88.0 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -76.15 162.31 28.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.732 0.301 . . . . 0.0 110.546 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 9.8 m -138.31 151.76 47.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.529 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -138.25 132.86 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.895 0.379 . . . . 0.0 110.646 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 63.8 m -99.24 98.09 9.1 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.42 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 10.7 mp -99.02 136.79 38.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.711 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 216' ' ' GLU . . . . . 0.516 ' CG ' HE22 ' C' ' 202' ' ' GLN . 81.6 tt0 -93.38 123.8 36.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.09 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 217' ' ' VAL . . . . . 0.522 ' O ' ' N ' ' C' ' 201' ' ' MET . 27.0 m -148.7 -161.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.929 0.395 . . . . 0.0 110.977 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 218' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -139.46 176.52 2.53 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.69 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.16 -26.9 10.22 Favored 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.463 2.108 . . . . 0.0 112.294 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 3.0 p -82.51 -27.04 31.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.821 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 221' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -44.66 135.1 5.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.64 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 60.5 p -85.74 143.84 28.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.82 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 223' ' ' ILE . . . . . 0.404 HG23 HD13 ' C' ' 223' ' ' ILE . 19.9 mm -46.47 -58.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.488 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -44.5 -38.1 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.54 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 225' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -65.48 -41.43 93.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.139 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 42.3 t -61.99 -51.99 65.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.979 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 227' ' ' LYS . . . . . 0.423 ' HZ3' ' H ' ' C' ' 243' ' ' LEU . 34.1 mttm -52.7 -32.03 40.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.962 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -68.17 -41.13 81.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.195 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -62.71 -42.27 99.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.267 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 60.4 mt -64.3 -46.48 93.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.232 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 231' ' ' GLN . . . . . 0.426 ' O ' ' OE1' ' C' ' 231' ' ' GLN . 0.6 OUTLIER -56.09 -31.66 63.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.378 179.802 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -75.96 -25.32 55.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.463 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 18.9 mmtm -80.58 -62.25 1.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.513 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -87.56 -108.06 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.56 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -171.93 28.23 0.1 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 236' ' ' ILE . . . . . 0.428 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 38.6 mt -95.48 111.91 57.01 Favored Pre-proline 0 C--N 1.329 -0.294 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -64.26 147.91 91.07 Favored 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 121.517 1.478 . . . . 0.0 111.399 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -48.59 -50.6 12.02 Favored 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 122.196 1.93 . . . . 0.0 111.863 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -53.24 -15.9 1.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.559 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 240' ' ' GLN . . . . . 0.534 HE22 ' H ' ' C' ' 274' ' ' ARG . 36.4 mm-40 -118.47 42.82 2.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.459 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 241' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 67.0 mt-30 -134.51 156.42 48.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.464 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 242' ' ' ARG . . . . . 0.594 HH22 ' NE ' ' C' ' 272' ' ' ARG . 0.2 OUTLIER -166.62 105.04 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.979 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 243' ' ' LEU . . . . . 0.538 ' N ' ' CD1' ' C' ' 243' ' ' LEU . 6.6 mp -90.3 128.37 36.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.119 0.485 . . . . 0.0 111.183 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.8 mt -125.53 120.02 56.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.283 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 245' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -109.74 71.4 0.76 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.847 0.356 . . . . 0.0 110.909 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 61.18 86.63 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.727 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 247' ' ' GLY . . . . . 0.627 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 56.39 32.31 60.58 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -138.84 88.15 2.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 110.611 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 249' ' ' GLN . . . . . 0.532 ' CD ' ' HE ' ' C' ' 242' ' ' ARG . 12.1 tt0 -74.49 85.88 2.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.026 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 8.9 mt -43.65 137.08 3.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -89.66 158.34 17.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.226 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.85 -1.39 43.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.846 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 253' ' ' GLY . . . . . 0.482 ' O ' ' NE ' ' C' ' 254' ' ' ARG . . . -122.98 37.64 2.74 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 254' ' ' ARG . . . . . 0.482 ' NE ' ' O ' ' C' ' 253' ' ' GLY . 0.0 OUTLIER -134.82 -174.77 3.69 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 255' ' ' THR . . . . . 0.505 ' C ' ' H ' ' C' ' 257' ' ' SER . 41.6 p -127.33 157.17 40.62 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.635 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.81 -3.99 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.553 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 257' ' ' SER . . . . . 0.505 ' H ' ' C ' ' C' ' 255' ' ' THR . 11.4 t -94.39 -27.85 15.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.654 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -73.31 12.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.622 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 259' ' ' TYR . . . . . 0.471 ' H ' ' C ' ' C' ' 257' ' ' SER . 69.2 m-85 -140.57 5.78 2.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.521 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 57.12 32.43 21.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.693 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 85.0 mt -77.02 95.83 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.449 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -76.19 -157.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.767 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 10.2 pttm -84.65 160.9 20.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.786 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 56.96 31.51 19.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.804 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 47.7 m -86.66 133.61 33.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.569 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 10.7 m -90.48 101.19 13.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.434 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 10.5 mt -89.03 121.95 31.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.641 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 268' ' ' HIS . . . . . 0.771 ' HD1' ' H ' ' C' ' 268' ' ' HIS . 0.1 OUTLIER -77.2 99.16 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.913 179.563 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 51.6 tp -79.27 133.8 36.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.865 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 2.2 t -137.31 164.69 28.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.128 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 271' ' ' LEU . . . . . 0.64 ' CD2' ' N ' ' C' ' 271' ' ' LEU . 1.1 mm? -104.37 116.29 31.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.42 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 272' ' ' ARG . . . . . 0.594 ' NE ' HH22 ' C' ' 242' ' ' ARG . 48.7 ttt180 -69.97 71.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.459 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 273' ' ' LEU . . . . . . . . . . . . . 48.4 mt -43.14 118.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.552 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 274' ' ' ARG . . . . . 0.534 ' H ' HE22 ' C' ' 240' ' ' GLN . 25.3 ptt180 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.547 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 N--CA 1.461 0.096 0 CA-C-O 120.825 0.345 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 314' ' ' ASP . . . . . 0.404 ' OD1' ' OG ' ' D' ' 316' ' ' SER . 43.7 t0 -81.95 92.98 6.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.605 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 315' ' ' LEU . . . . . 0.402 ' C ' ' H ' ' D' ' 317' ' ' LYS . 14.6 mt -89.11 42.23 1.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.464 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 316' ' ' SER . . . . . 0.404 ' OG ' ' OD1' ' D' ' 314' ' ' ASP . 59.9 m -76.6 12.99 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.67 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 317' ' ' LYS . . . . . 0.402 ' H ' ' C ' ' D' ' 315' ' ' LEU . 29.1 pttt -163.29 84.58 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.944 0.402 . . . . 0.0 110.687 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -138.91 164.76 28.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.267 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -106.93 163.02 13.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.606 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -66.15 -47.77 72.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.418 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 321' ' ' ALA . . . . . 0.425 ' O ' ' OD2' ' D' ' 325' ' ' ASP . . . -62.4 -35.26 78.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.519 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 322' ' ' GLU . . . . . 0.431 ' O ' ' OG1' ' D' ' 326' ' ' THR . 12.5 mm-40 -67.05 -55.42 14.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.611 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 13.0 mt -54.76 -54.41 42.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.52 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 324' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.34 -50.22 67.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.467 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 325' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' D' ' 329' ' ' THR . 23.4 m-20 -59.23 -48.61 80.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.371 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 326' ' ' THR . . . . . 0.488 ' O ' ' N ' ' D' ' 330' ' ' SER . 8.4 m -51.78 -43.62 63.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.545 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 83.7 mt -76.47 -24.71 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.692 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 328' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -98.53 2.21 47.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.508 ' N ' ' O ' ' D' ' 325' ' ' ASP . 81.7 p -137.31 -41.66 0.57 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.684 0.278 . . . . 0.0 111.158 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 330' ' ' SER . . . . . 0.488 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.4 OUTLIER -77.79 169.75 17.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.032 0.444 . . . . 0.0 111.144 -179.321 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 331' ' ' CYS . . . . . 0.627 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 27.9 p -147.27 89.33 1.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.514 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -163.1 99.55 0.96 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.346 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 1.9 mt -38.78 -43.28 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.775 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -56.09 -58.97 5.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.314 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.92 -52.14 66.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.183 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 27.5 mt -50.41 -47.25 56.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.472 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -59.22 -49.16 78.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.427 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.37 -43.84 93.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.538 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 339' ' ' CYS . . . . . . . . . . . . . 94.7 m -58.49 -49.61 76.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.54 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 340' ' ' ARG . . . . . 0.663 ' NH2' ' HE2' ' D' ' 344' ' ' HIS . 19.4 mtp-105 -64.61 -35.17 80.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.511 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -59.26 -56.38 22.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.255 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 342' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -63.14 -35.03 78.94 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.249 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -58.02 -55.85 29.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.087 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 344' ' ' HIS . . . . . 0.663 ' HE2' ' NH2' ' D' ' 340' ' ' ARG . 11.5 m-70 -58.78 -46.15 88.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.2 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -40.13 62.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.106 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 10.1 mtp85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.487 -179.97 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.736 0.303 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -126.13 92.93 3.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.497 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.5 mt -97.1 44.6 1.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.476 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.0 p -85.38 11.62 9.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.9 pttp -165.53 82.69 0.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.641 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -130.24 175.91 8.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.288 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -117.64 163.82 15.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.646 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.474 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 15.6 t80 -62.12 -49.84 74.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.551 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.81 -44.17 96.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.703 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -56.15 -55.52 32.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.687 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 mt -57.75 -52.54 65.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.543 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.636 ' NH1' HD22 ' A' ' 28' ' ' ASN . 7.6 tpt85 -57.66 -42.71 84.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.438 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.439 ' O ' ' OG1' ' A' ' 29' ' ' THR . 39.7 m-20 -64.21 -48.2 76.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.349 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.571 ' O ' ' N ' ' A' ' 30' ' ' SER . 25.7 m -54.28 -49.05 70.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.635 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.4 mt -71.58 -27.7 29.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.928 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.636 HD22 ' NH1' ' A' ' 24' ' ' ARG . 1.0 OUTLIER -87.41 -8.6 56.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.052 -179.567 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 64.5 p -127.45 -49.39 1.41 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.66 0.267 . . . . 0.0 111.148 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 26' ' ' THR . 2.0 t -60.72 167.61 2.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.971 0.415 . . . . 0.0 110.958 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.4 m -144.26 36.87 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.376 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.51 100.6 9.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.6 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.4 mt -42.22 -34.15 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.509 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -63.21 -56.02 20.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.177 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.492 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 9.1 mt -60.91 -41.04 95.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.085 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.0 mt -57.01 -43.31 81.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.447 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.18 -49.2 68.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.508 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.41 -45.34 93.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.537 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 73.2 m -59.82 -50.52 73.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.357 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 -60.26 -34.8 74.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.498 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -63.09 -58.28 7.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.738 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -59.5 -36.81 76.77 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.692 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.27 -45.17 94.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.383 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.461 ' HE2' ' CD2' ' B' ' 173' ' ' LEU . 17.0 m170 -72.72 -54.98 7.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.392 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 86.0 mtt-85 -45.76 -48.82 15.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.608 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 67.0 mtt-85 -61.34 -20.76 63.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.688 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 44' ' ' HIS . 85.7 mt -97.4 -32.7 11.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.667 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -77.91 -29.67 50.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.662 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -41.93 128.69 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.591 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 17.3 t80 69.21 67.58 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.457 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.576 179.938 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.542 ' N ' ' O ' ' B' ' 117' ' ' VAL . 28.4 ttp . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . 0.404 ' N ' ' CG ' ' B' ' 101' ' ' MET . 34.1 tt0 -126.62 127.76 45.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.424 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 13.8 pt -127.37 151.94 34.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.682 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -102.99 147.72 26.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.567 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 22.5 t -128.34 106.99 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.344 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -97.22 128.58 44.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.439 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 24.5 p -88.65 -165.17 1.26 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.52 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.627 ' CD2' ' H ' ' B' ' 108' ' ' LEU . 0.5 OUTLIER -83.08 -19.24 37.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 19.0 p -88.12 -5.47 58.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.497 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.01 9.32 62.41 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -79.71 122.7 26.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 110.486 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 19.2 m -99.81 144.91 28.33 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.621 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -133.71 123.8 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.396 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 5.8 m -88.29 101.67 14.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.597 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 11.1 mp -104.46 132.09 51.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.65 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -88.14 125.14 34.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.078 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' B' ' 101' ' ' MET . 11.7 m -147.16 -170.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.944 0.402 . . . . 0.0 110.886 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -139.2 146.94 51.22 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.892 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -47.18 -30.8 11.13 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 122.382 2.055 . . . . 0.0 112.454 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.5 p -87.19 18.17 3.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.193 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -92.59 136.26 33.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 0.0 110.356 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 122' ' ' THR . . . . . 0.528 ' OG1' ' ND2' ' B' ' 125' ' ' ASN . 3.7 p -82.61 138.62 34.15 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.945 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 35.2 mm -46.71 -37.24 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.258 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -58.09 -46.81 84.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.039 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.528 ' ND2' ' OG1' ' B' ' 122' ' ' THR . 60.5 m-80 -60.06 -36.01 76.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.069 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 26.7 t -64.61 -46.7 91.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.165 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -55.64 -36.81 67.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.038 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.55 -40.48 89.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.239 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -60.86 -41.74 96.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.361 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 52.1 mt -66.63 -44.84 89.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.334 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . 0.403 ' OE1' ' C ' ' B' ' 131' ' ' GLN . 0.9 OUTLIER -55.5 -33.2 63.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.386 179.885 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -74.75 -35.42 62.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.492 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -70.35 -61.89 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -87.35 -106.0 0.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.531 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -173.71 9.45 0.03 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.416 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 42.7 mt -79.71 116.18 59.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.96 152.32 75.87 Favored 'Trans proline' 0 C--N 1.314 -1.251 0 C-N-CA 121.553 1.502 . . . . 0.0 111.588 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.478 ' O ' ' N ' ' B' ' 140' ' ' GLN . 2.6 Cg_endo -47.83 -62.52 0.43 Allowed 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.433 2.088 . . . . 0.0 111.885 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -44.83 -17.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.718 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' B' ' 138' ' ' PRO . 26.0 mt-30 -110.98 35.65 3.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.669 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' B' ' 138' ' ' PRO . 70.4 mt-30 -134.43 148.24 50.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.559 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . 0.52 HH12 ' CG ' ' A' ' 28' ' ' ASN . 22.5 ttt180 -159.63 115.08 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.25 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.2 mt -95.51 138.26 33.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.6 mt -127.39 141.24 46.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.296 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -162.88 152.55 15.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.633 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 58.73 20.81 8.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.06 23.77 70.81 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -145.78 147.22 31.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.815 0.34 . . . . 0.0 110.778 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . 0.521 ' NE2' ' O ' ' B' ' 150' ' ' LEU . 3.1 tm0? -79.5 136.57 36.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.212 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.521 ' O ' ' NE2' ' B' ' 149' ' ' GLN . 11.7 mt -81.47 139.64 35.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.845 0.355 . . . . 0.0 110.891 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . 0.418 ' OE2' ' OD1' ' C' ' 260' ' ' ASN . 22.3 mm-40 -80.69 160.4 25.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.572 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' B' ' 152' ' ' ASP . 0.0 OUTLIER -86.6 -15.97 38.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.659 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -107.05 36.94 4.08 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 20.7 mmt-85 -139.71 169.13 18.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.671 0.272 . . . . 0.0 110.396 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 155' ' ' THR . . . . . 0.427 ' OG1' ' OG ' ' B' ' 157' ' ' SER . 18.8 p -110.15 162.11 14.91 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.723 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 43.4 mt -60.24 -27.61 67.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.739 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 157' ' ' SER . . . . . 0.427 ' OG ' ' OG1' ' B' ' 155' ' ' THR . 15.8 p -68.31 -42.56 79.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.798 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -52.73 -32.94 45.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.708 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -91.16 2.89 56.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.731 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' B' ' 160' ' ' ASN . 1.7 t30 62.15 26.65 16.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.666 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . 0.416 HG23 HD11 ' B' ' 161' ' ' ILE . 71.1 mt -72.95 112.01 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.464 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -91.16 -169.03 2.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.612 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.27 155.96 38.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.735 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 61.29 32.82 19.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.815 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 38.2 m -88.98 130.99 35.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.597 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 21.0 m -88.49 111.25 21.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.613 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 4.9 mt -100.62 131.05 46.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.604 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 168' ' ' HIS . . . . . 0.667 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -84.86 112.95 21.0 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.817 0.341 . . . . 0.0 110.216 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 43.0 tp -89.93 131.46 35.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.416 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.27 140.33 43.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.324 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . 0.448 ' N ' ' CD1' ' B' ' 171' ' ' LEU . 8.3 mp -77.05 104.56 7.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.527 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -63.04 95.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.516 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 173' ' ' LEU . . . . . 0.461 ' CD2' ' HE2' ' A' ' 44' ' ' HIS . 29.1 mt -59.55 125.15 22.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.488 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 13.9 ttp-105 -44.4 139.85 2.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.579 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 167.6 124.2 0.71 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.637 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 201' ' ' MET . . . . . 0.529 ' N ' ' O ' ' C' ' 217' ' ' VAL . 31.7 ttp . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -67.49 123.74 21.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.625 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 17.9 pt -132.1 149.51 32.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.577 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -100.66 146.38 27.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.744 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 98.5 t -134.36 105.0 6.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.215 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -83.44 137.33 33.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.952 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 33.0 p -95.44 -167.29 1.59 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.425 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 208' ' ' LEU . . . . . 0.646 ' CD1' HH21 ' D' ' 340' ' ' ARG . 0.3 OUTLIER -88.48 21.75 2.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.485 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 5.4 p -136.53 9.88 3.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.506 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 89.6 -31.41 5.23 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -46.16 135.14 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.347 . . . . 0.0 110.526 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 33.8 m -115.1 126.18 54.36 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.597 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 1.5 mt -106.96 125.05 63.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.635 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 8.8 m -95.45 118.66 32.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.091 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 19.2 mt -128.35 136.31 50.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.941 0.401 . . . . 0.0 110.897 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -88.91 131.49 35.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.051 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 217' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' C' ' 201' ' ' MET . 33.4 m -149.37 -168.84 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 0.0 110.851 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 218' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -141.12 147.44 47.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.89 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.46 -28.38 8.59 Favored 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.406 2.071 . . . . 0.0 112.489 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 220' ' ' SER . . . . . 0.427 ' H ' ' HG ' ' C' ' 220' ' ' SER . 0.3 OUTLIER -85.61 8.63 18.76 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.149 -179.478 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 221' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -83.23 135.24 34.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.809 0.338 . . . . 0.0 110.384 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 9.1 p -84.37 138.07 33.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.881 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 223' ' ' ILE . . . . . 0.431 HD11 HG21 ' C' ' 223' ' ' ILE . 23.4 mm -45.42 -48.24 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.294 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -51.67 -37.74 51.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.117 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 225' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -64.79 -43.0 94.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.007 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 18.5 t -60.83 -38.31 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.926 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 227' ' ' LYS . . . . . 0.426 ' NZ ' ' OD1' ' C' ' 252' ' ' ASP . 77.5 mttt -62.02 -39.77 93.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.134 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -62.33 -44.97 95.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.131 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -59.47 -42.85 93.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.191 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 32.9 mt -64.24 -29.35 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.224 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -68.26 -41.21 81.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.141 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -67.91 -26.88 66.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.368 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm -80.14 -61.83 1.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.56 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -87.12 -99.48 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.588 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 172.98 13.05 0.02 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 236' ' ' ILE . . . . . 0.516 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 55.1 mt -82.93 129.01 63.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -55.77 145.78 70.04 Favored 'Trans proline' 0 N--CA 1.489 1.256 0 C-N-CA 121.621 1.547 . . . . 0.0 111.615 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -52.25 -32.77 52.15 Favored 'Trans proline' 0 C--N 1.311 -1.422 0 C-N-CA 122.108 1.872 . . . . 0.0 111.876 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 239' ' ' ASP . . . . . 0.522 ' C ' ' H ' ' C' ' 241' ' ' GLN . 2.5 m-20 -69.02 -52.3 30.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.71 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 240' ' ' GLN . . . . . 0.499 ' OE1' ' N ' ' C' ' 240' ' ' GLN . 1.7 mp0 -72.13 37.48 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.687 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 241' ' ' GLN . . . . . 0.522 ' H ' ' C ' ' C' ' 239' ' ' ASP . 69.9 mt-30 -134.77 157.98 45.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.971 0.415 . . . . 0.0 110.821 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 242' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -170.27 154.45 4.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.953 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 15.0 mt -129.73 142.98 50.61 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.143 0.497 . . . . 0.0 111.405 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.8 mt -128.67 134.57 64.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.823 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 245' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -119.51 74.08 0.99 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.858 0.361 . . . . 0.0 110.993 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 55.23 87.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.059 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 247' ' ' GLY . . . . . 0.643 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 55.8 38.43 73.38 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -150.96 91.68 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.704 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -71.18 122.99 21.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.054 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 9.2 mt -84.18 131.47 34.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 110.859 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -82.53 161.04 22.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.582 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 252' ' ' ASP . . . . . 0.426 ' OD1' ' NZ ' ' C' ' 227' ' ' LYS . 0.6 OUTLIER -75.9 -22.26 56.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.756 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -103.56 41.48 2.12 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -139.62 175.19 9.78 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 31.1 p -117.72 165.53 13.51 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.701 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.17 -17.68 64.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.763 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 257' ' ' SER . . . . . 0.528 ' C ' ' H ' ' C' ' 259' ' ' TYR . 61.5 p -79.16 -30.6 43.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.625 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -69.82 13.21 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.582 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 259' ' ' TYR . . . . . 0.528 ' H ' ' C ' ' C' ' 257' ' ' SER . 82.3 m-85 -140.65 8.67 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.649 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 260' ' ' ASN . . . . . 0.506 HD21 ' C ' ' C' ' 259' ' ' TYR . 0.7 OUTLIER 56.19 31.87 19.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.61 179.865 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 79.6 mt -79.6 95.36 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.512 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -77.79 -157.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.567 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -81.82 162.15 22.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.692 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 55.51 37.96 29.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.8 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 39.4 m -95.96 131.0 42.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.542 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 7.6 m -92.98 112.83 24.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.553 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 6.6 mt -103.65 150.05 24.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.585 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 268' ' ' HIS . . . . . 0.696 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.0 OUTLIER -98.52 113.54 25.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.134 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 35.7 tp -85.41 127.63 34.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.234 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 2.5 t -128.76 155.08 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.564 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 271' ' ' LEU . . . . . . . . . . . . . 12.9 mt -95.9 98.35 10.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.489 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -49.25 117.63 2.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.589 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 273' ' ' LEU . . . . . . . . . . . . . 20.5 mt -98.24 106.34 18.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.46 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 . . . . . 0 C--N 1.332 -0.178 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.38 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 . . . . . 0 N--CA 1.461 0.091 0 CA-C-O 120.809 0.338 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 314' ' ' ASP . . . . . 0.492 ' N ' ' OD1' ' D' ' 314' ' ' ASP . 17.1 p-10 -79.06 93.01 5.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.412 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 15.0 mt -110.84 39.95 2.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.585 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 81.2 p -96.05 18.74 12.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.792 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -138.86 3.68 2.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.774 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -75.47 -177.39 3.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.676 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -132.79 167.66 19.76 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.482 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 320' ' ' TYR . . . . . 0.46 ' C ' ' CD1' ' D' ' 320' ' ' TYR . 7.3 t80 -58.13 -48.17 81.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.662 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -59.52 -46.52 88.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.02 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -61.36 -53.74 52.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.105 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 16.3 mt -59.96 -52.55 64.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.041 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 324' ' ' ARG . . . . . 0.433 ' O ' ' ND2' ' D' ' 328' ' ' ASN . 1.2 tpt180 -52.82 -44.8 66.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.453 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 325' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' D' ' 329' ' ' THR . 25.9 t70 -63.77 -48.04 78.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.344 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 326' ' ' THR . . . . . 0.52 ' O ' ' N ' ' D' ' 330' ' ' SER . 3.7 m -52.92 -41.51 64.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.565 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 94.8 mt -75.68 -30.22 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.515 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 328' ' ' ASN . . . . . 0.584 ' N ' HD21 ' D' ' 328' ' ' ASN . 0.9 OUTLIER -92.24 -0.45 57.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.926 -179.794 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.463 ' N ' ' O ' ' D' ' 325' ' ' ASP . 82.5 p -131.79 -46.8 0.95 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.072 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 330' ' ' SER . . . . . 0.52 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.4 OUTLIER -74.34 157.03 36.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.014 0.435 . . . . 0.0 111.141 -179.366 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 331' ' ' CYS . . . . . 0.643 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 25.4 p -135.92 88.08 2.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.527 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -162.27 99.15 1.05 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.999 0.428 . . . . 0.0 110.48 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . 0.418 ' H ' HG13 ' D' ' 333' ' ' ILE . 9.8 mt -38.93 -31.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.771 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -67.8 -59.94 2.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.505 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 335' ' ' LEU . . . . . 0.497 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 3.9 mt -61.84 -49.59 75.68 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 336' ' ' LEU . . . . . 0.652 ' CB ' HH22 ' D' ' 340' ' ' ARG . 49.8 mt -50.55 -55.01 18.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.088 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 337' ' ' ALA . . . . . 0.465 ' N ' ' NH2' ' D' ' 340' ' ' ARG . . . -55.34 -44.72 76.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.038 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -56.71 -39.72 74.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.729 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 339' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 24.2 m -60.05 -53.45 57.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.798 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 340' ' ' ARG . . . . . 0.652 HH22 ' CB ' ' D' ' 336' ' ' LEU . 0.1 OUTLIER -51.12 -46.17 61.82 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.014 179.445 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -55.11 -60.54 3.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.141 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 342' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -66.01 -39.86 90.61 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.885 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -62.02 -33.08 73.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.421 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -81.79 -48.23 11.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.115 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -51.13 -41.36 60.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.998 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.503 179.871 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.54 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.795 0.331 . . . . 0.0 110.582 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -79.09 92.9 5.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.565 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.8 mt -95.8 44.42 1.08 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.368 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.6 t -82.62 14.3 3.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.735 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 pttp -170.55 84.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.757 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -133.04 162.72 30.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.159 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -106.37 161.59 14.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.691 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.426 ' OH ' ' N ' ' B' ' 176' ' ' GLY . 18.8 t80 -59.35 -50.91 72.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.41 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.77 -47.74 79.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.761 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -55.27 -58.2 8.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.8 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.3 mt -53.31 -58.84 5.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.604 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.52 ' NH1' ' O ' ' B' ' 173' ' ' LEU . 10.5 tpt180 -53.01 -51.67 60.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.508 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.452 ' O ' ' OG1' ' A' ' 29' ' ' THR . 7.7 m-20 -55.46 -50.03 70.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.522 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.612 ' O ' ' N ' ' A' ' 30' ' ' SER . 14.9 m -52.38 -54.08 36.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.821 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.93 -24.15 34.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.683 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.678 HD22 HH12 ' B' ' 142' ' ' ARG . 0.8 OUTLIER -92.4 -9.77 40.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.346 -179.331 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 18.9 p -130.44 -3.93 4.29 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.972 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.612 ' N ' ' O ' ' A' ' 26' ' ' THR . 4.3 t -116.17 150.54 37.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.067 0.461 . . . . 0.0 110.953 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.4 p -122.94 18.0 10.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.103 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -79.26 95.88 5.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.813 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.412 HG21 HD11 ' A' ' 33' ' ' ILE . 4.9 mm -42.29 -39.74 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.534 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.559 ' H ' ' CD ' ' A' ' 34' ' ' GLU . 5.6 mp0 -57.89 -58.75 7.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.26 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.497 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 12.8 mt -58.55 -39.81 81.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.314 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.8 mt -56.14 -43.26 78.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.358 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.96 -49.16 54.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.518 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.31 -46.52 89.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.449 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 72.3 m -59.32 -53.24 60.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.178 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.6 mtp85 -53.96 -39.88 66.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.328 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -60.21 -57.81 11.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.61 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -62.58 -36.12 81.7 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.458 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -62.63 -38.9 92.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.133 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -68.83 -47.7 65.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.256 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.542 ' O ' ' N ' ' A' ' 49' ' ' VAL . 47.6 mtm180 -54.01 -51.14 64.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.511 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.4 mtp85 -55.95 -26.89 49.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.742 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -86.72 -58.53 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.457 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.463 ' C ' ' H ' ' A' ' 50' ' ' TYR . 53.2 mttm -69.72 -46.0 66.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.755 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.542 ' N ' ' O ' ' A' ' 45' ' ' ARG . 3.5 t 63.32 1.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.515 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.519 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 2.7 m-85 -87.98 74.97 8.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.301 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 50' ' ' TYR . 76.0 m80 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.495 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.539 ' N ' ' O ' ' B' ' 117' ' ' VAL . 35.1 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -106.76 137.85 44.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.5 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 20.4 pt -144.6 152.34 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.618 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -102.28 158.17 16.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.723 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 97.3 t -144.63 111.33 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.393 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -92.52 133.78 35.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.705 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 50.1 p -84.01 -145.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.314 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.599 ' CD2' ' N ' ' B' ' 108' ' ' LEU . 0.9 OUTLIER -83.59 -57.89 3.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.468 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 17.6 p -59.95 -44.99 94.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.672 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 149.82 -15.13 1.05 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -44.68 124.85 4.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.795 0.331 . . . . 0.0 110.518 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 17.0 m -103.9 147.79 26.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.677 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 4.9 mt -133.31 129.99 57.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.471 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 10.2 m -98.23 120.32 38.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.501 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 23.3 mt -118.08 134.75 54.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.642 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -94.63 79.41 3.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.351 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' B' ' 101' ' ' MET . 8.1 m -100.32 -167.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.831 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.516 ' OE1' ' N ' ' B' ' 101' ' ' MET . 9.9 mm-40 -143.23 150.77 53.23 Favored Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.891 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.56 -39.19 22.59 Favored 'Trans proline' 0 C--N 1.309 -1.529 0 C-N-CA 122.581 2.187 . . . . 0.0 112.619 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 2.5 p -82.55 22.81 0.83 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.347 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . 0.495 ' OD2' ' N ' ' B' ' 118' ' ' GLU . 25.5 m-20 -96.46 133.14 41.27 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.318 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 7.5 p -80.77 133.75 35.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . 0.433 HD12 HG22 ' B' ' 123' ' ' ILE . 34.4 mm -41.97 -48.88 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.404 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -51.04 -43.29 60.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.193 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.499 ' C ' HD21 ' B' ' 125' ' ' ASN . 0.1 OUTLIER -60.25 -39.5 86.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.053 179.491 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 14.7 t -62.4 -43.81 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.913 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -56.32 -40.29 74.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.039 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.98 98.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.348 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -60.76 -45.14 95.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.435 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 15.3 mt -62.04 -47.58 92.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.375 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . 0.434 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.6 OUTLIER -54.32 -32.67 57.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.289 179.852 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -74.15 -27.59 60.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.485 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 45.0 mmtt -79.56 -63.83 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.482 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -84.65 -109.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.518 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -168.35 10.12 0.05 OUTLIER Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.542 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 36.2 mt -80.09 115.56 55.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -63.09 152.08 81.43 Favored 'Trans proline' 0 C--N 1.315 -1.218 0 C-N-CA 121.474 1.449 . . . . 0.0 111.584 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.522 ' O ' ' N ' ' B' ' 140' ' ' GLN . 2.6 Cg_endo -47.8 -66.93 0.12 Allowed 'Trans proline' 0 C--N 1.31 -1.458 0 C-N-CA 122.453 2.102 . . . . 0.0 111.93 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -43.58 -17.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' B' ' 138' ' ' PRO . 69.8 mt-30 -110.6 34.88 3.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.624 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . 0.542 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 77.2 mt-30 -134.52 159.76 40.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.606 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . 0.678 HH12 HD22 ' A' ' 28' ' ' ASN . 19.4 ttm180 -165.77 129.61 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.255 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 15.8 mt -107.86 128.95 55.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.096 0.474 . . . . 0.0 110.993 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.9 mt -125.32 125.05 68.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.257 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . 0.423 ' CG ' ' N ' ' B' ' 146' ' ' ALA . 88.4 t80 -139.62 159.45 42.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.435 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . 0.423 ' N ' ' CG ' ' B' ' 145' ' ' PHE . . . 46.02 28.88 0.68 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.618 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 65.91 36.61 92.33 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -150.8 137.19 18.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.757 0.313 . . . . 0.0 110.396 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -74.71 130.66 39.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.368 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 15.7 mt -82.93 138.03 33.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.934 0.397 . . . . 0.0 110.729 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.4 159.26 34.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.501 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.03 -18.59 30.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.727 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -105.81 37.68 3.69 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -139.52 167.47 22.01 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 155' ' ' THR . . . . . 0.423 ' OG1' ' OD2' ' B' ' 158' ' ' ASP . 11.6 p -106.82 161.92 14.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.908 0.385 . . . . 0.0 110.801 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 81.0 mt -57.35 -41.01 79.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.675 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 48.3 t -55.12 -44.17 74.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . 0.423 ' OD2' ' OG1' ' B' ' 155' ' ' THR . 41.0 m-20 -49.38 -38.2 27.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.738 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -89.94 18.86 5.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.622 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . 0.457 ' N ' ' OD1' ' B' ' 160' ' ' ASN . 1.3 m-20 49.16 30.01 2.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 89.9 mt -80.45 108.67 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.375 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -89.35 -156.76 0.42 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.753 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 6.0 ptp85 -80.83 159.91 24.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.831 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 60.26 35.05 20.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.856 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 19.8 m -95.01 122.36 37.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.464 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 21.8 m -95.35 111.96 23.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.504 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 3.7 mp -100.05 159.27 15.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.619 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 168' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -104.89 118.95 37.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.094 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . 0.4 HD12 ' H ' ' B' ' 170' ' ' VAL . 49.1 tp -92.74 134.47 35.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.036 -179.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 170' ' ' VAL . . . . . 0.4 ' H ' HD12 ' B' ' 169' ' ' LEU . 2.4 t -134.81 139.87 46.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.995 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 8.6 mp -74.58 110.03 8.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.828 0.347 . . . . 0.0 110.732 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' B' ' 173' ' ' LEU . 57.5 ttt180 -71.32 74.16 0.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.412 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 173' ' ' LEU . . . . . 0.52 ' O ' ' NH1' ' A' ' 24' ' ' ARG . 8.2 mt -41.82 164.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.744 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -71.57 125.95 28.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.54 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . -179.78 158.92 23.01 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 176' ' ' GLY . . . . . 0.426 ' N ' ' OH ' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.526 0.723 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 201' ' ' MET . . . . . 0.515 ' N ' ' O ' ' C' ' 217' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -91.17 115.1 27.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.591 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 20.9 pt -104.63 150.18 7.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.637 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -101.13 143.18 31.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.566 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 6.2 t -131.66 114.58 25.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.451 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 206' ' ' LYS . . . . . 0.493 ' HZ1' ' CG2' ' C' ' 266' ' ' THR . 46.4 mttp -97.03 132.08 43.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.718 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 65.2 p -88.11 -154.79 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.412 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 208' ' ' LEU . . . . . 0.614 ' CD2' ' H ' ' C' ' 208' ' ' LEU . 1.1 mm? -78.16 -52.06 9.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 11.0 p -66.63 -1.45 3.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.596 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 87.23 26.51 30.65 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -81.99 113.61 20.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.549 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 8.8 m -85.06 149.5 25.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.633 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 3.0 mt -143.95 127.62 12.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 27.7 m -92.87 116.61 29.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.262 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 25.2 mt -121.93 128.65 51.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.839 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -79.44 122.4 26.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.253 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 217' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' C' ' 201' ' ' MET . 14.4 m -147.41 176.92 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.966 0.412 . . . . 0.0 110.833 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 218' ' ' GLU . . . . . 0.55 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 75.4 mt-10 -131.62 150.67 76.97 Favored Pre-proline 0 CA--C 1.53 0.202 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.912 179.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.38 -25.72 3.49 Favored 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 122.532 2.154 . . . . 0.0 112.451 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.2 p -90.86 11.57 22.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.087 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 221' ' ' ASP . . . . . 0.55 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 8.8 m-20 -83.45 134.52 34.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.859 0.361 . . . . 0.0 110.252 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 222' ' ' THR . . . . . 0.573 ' HG1' ' H ' ' C' ' 225' ' ' ASN . 11.4 p -83.34 137.15 34.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.833 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 223' ' ' ILE . . . . . 0.431 HD12 HG22 ' C' ' 223' ' ' ILE . 23.9 mm -45.25 -46.26 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.297 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -55.0 -35.58 64.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.111 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 225' ' ' ASN . . . . . 0.573 ' H ' ' HG1' ' C' ' 222' ' ' THR . 13.8 t-20 -65.11 -48.91 71.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.024 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 22.1 t -56.29 -55.8 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.916 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 227' ' ' LYS . . . . . 0.4 ' CA ' HE22 ' C' ' 241' ' ' GLN . 46.0 mttm -47.64 -36.12 10.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.005 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -62.84 -45.14 93.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.003 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -59.89 -35.35 74.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.207 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 5.8 mt -70.39 -31.72 47.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.29 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -70.56 -27.85 64.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.322 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -80.5 -31.21 37.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.684 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -81.3 -57.46 3.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.71 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -88.7 -99.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.566 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 175.34 8.14 0.02 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 236' ' ' ILE . . . . . 0.427 ' O ' ' OE1' ' C' ' 241' ' ' GLN . 14.3 mt -80.17 115.93 57.96 Favored Pre-proline 0 C--N 1.329 -0.301 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.14 149.27 81.3 Favored 'Trans proline' 0 C--N 1.315 -1.211 0 C-N-CA 121.547 1.498 . . . . 0.0 111.7 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -50.51 -39.5 55.02 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.384 2.056 . . . . 0.0 111.983 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.41 -40.41 95.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.791 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -83.91 38.14 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.732 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 241' ' ' GLN . . . . . 0.427 ' OE1' ' O ' ' C' ' 236' ' ' ILE . 33.6 mt-30 -134.66 153.85 51.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.715 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 242' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -156.33 95.87 1.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.851 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 243' ' ' LEU . . . . . 0.41 ' N ' ' CD1' ' C' ' 243' ' ' LEU . 7.9 mp -77.01 132.09 38.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.193 0.521 . . . . 0.0 110.968 -179.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.7 mt -135.24 118.06 22.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.21 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 245' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -107.92 73.9 0.92 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.667 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 69.27 88.11 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.54 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 247' ' ' GLY . . . . . 0.482 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 45.18 30.75 2.82 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -134.22 94.19 3.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.781 0.324 . . . . 0.0 110.568 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -74.51 119.85 19.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.228 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 11.0 mt -81.44 135.05 35.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.904 0.383 . . . . 0.0 110.827 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 251' ' ' GLU . . . . . 0.474 ' OE1' ' NH1' ' C' ' 254' ' ' ARG . 76.8 mt-10 -82.26 161.5 22.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.421 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.19 -22.77 41.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -102.62 41.44 2.13 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.324 -0.711 . . . . 0.0 111.324 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 254' ' ' ARG . . . . . 0.474 ' NH1' ' OE1' ' C' ' 251' ' ' GLU . 27.3 mmt-85 -139.62 176.07 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 33.9 p -117.96 165.97 13.08 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.853 0.359 . . . . 0.0 110.72 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.77 -35.91 81.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.714 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 257' ' ' SER . . . . . 0.516 ' C ' ' H ' ' C' ' 259' ' ' TYR . 19.1 t -65.49 -30.75 71.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.82 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -69.73 11.09 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.721 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 259' ' ' TYR . . . . . 0.516 ' H ' ' C ' ' C' ' 257' ' ' SER . 60.2 m-85 -140.59 14.16 2.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.478 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 21.3 m120 55.55 26.45 9.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.742 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 94.7 mt -77.75 102.78 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.494 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -81.62 -157.54 0.19 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.61 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -84.68 158.76 20.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.689 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 56.69 29.43 15.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.784 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 41.2 m -80.69 131.4 35.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.537 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 266' ' ' THR . . . . . 0.493 ' CG2' ' HZ1' ' C' ' 206' ' ' LYS . 27.7 m -87.83 113.06 23.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.605 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 11.7 mt -100.69 154.16 18.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.445 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 268' ' ' HIS . . . . . 0.671 ' N ' ' HD1' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -113.0 100.17 8.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.24 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 269' ' ' LEU . . . . . 0.442 ' C ' ' CD2' ' C' ' 269' ' ' LEU . 6.4 tt -80.95 124.84 29.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.625 -179.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 4.6 t -116.28 148.57 18.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.649 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 271' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.59 95.53 8.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.2 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -50.19 137.4 17.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.487 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 273' ' ' LEU . . . . . 0.455 ' CD2' ' HE2' ' D' ' 344' ' ' HIS . 20.7 mt -117.13 170.09 8.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.529 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.606 179.966 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 313' ' ' TYR . . . . . 0.482 ' CD1' ' N ' ' D' ' 313' ' ' TYR . 0.5 OUTLIER . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.75 0.309 . . . . 0.0 110.536 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.84 92.87 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.512 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 11.0 mt -98.25 45.1 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.479 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 8.5 t -82.62 12.6 4.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.737 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -174.04 87.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 110.791 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -130.19 165.66 21.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.246 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 60.8 mmtt -105.06 163.71 12.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.736 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -63.9 -49.41 72.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.552 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -61.24 -39.62 91.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.655 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -61.67 -55.17 33.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.69 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 17.2 mt -56.67 -59.56 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.405 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 324' ' ' ARG . . . . . 0.518 ' O ' ' ND2' ' D' ' 328' ' ' ASN . 0.0 OUTLIER -53.14 -52.16 59.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.541 -179.876 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 325' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' D' ' 329' ' ' THR . 10.7 t70 -57.11 -49.08 77.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.596 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 326' ' ' THR . . . . . 0.549 ' O ' ' N ' ' D' ' 330' ' ' SER . 53.1 m -51.44 -48.7 62.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.654 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 94.8 mt -69.35 -33.29 56.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.583 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 328' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' D' ' 324' ' ' ARG . 1.3 m-80 -87.06 -3.23 59.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.176 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.453 ' N ' ' O ' ' D' ' 325' ' ' ASP . 71.4 p -127.26 -16.09 5.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.869 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 330' ' ' SER . . . . . 0.549 ' N ' ' O ' ' D' ' 326' ' ' THR . 4.0 t -110.24 175.2 5.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.991 0.424 . . . . 0.0 110.95 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 331' ' ' CYS . . . . . 0.482 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 14.0 p -143.29 10.83 1.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.09 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 332' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' D' ' 333' ' ' ILE . 6.1 m-20 -72.09 92.06 1.3 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.493 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' D' ' 332' ' ' ASP . 2.3 mt -38.38 -41.05 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.829 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -56.42 -57.18 13.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.137 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 10.9 mt -59.05 -43.06 91.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.912 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 85.7 mt -52.2 -44.09 64.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.423 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -68.08 -49.21 62.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.596 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -60.02 -45.36 93.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.362 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 339' ' ' CYS . . . . . . . . . . . . . 90.2 m -59.03 -53.5 57.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.229 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 14.9 mtp-105 -52.54 -42.77 64.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.276 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -58.33 -56.07 26.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 342' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -69.92 -34.68 73.8 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.742 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -58.45 -41.57 85.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.536 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 344' ' ' HIS . . . . . 0.455 ' HE2' ' CD2' ' C' ' 273' ' ' LEU . 11.7 m-70 -76.72 -52.45 9.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.307 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -46.62 -40.86 13.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.218 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 68.5 mtt-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.468 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.791 0.329 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.416 ' OD1' ' OG ' ' A' ' 16' ' ' SER . 37.0 t0 -79.12 93.03 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.573 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.7 mt -93.84 44.69 1.13 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.458 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.416 ' OG ' ' OD1' ' A' ' 14' ' ' ASP . 48.8 m -83.78 -3.8 58.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -147.56 76.38 1.4 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.749 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -128.22 163.49 24.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.351 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -106.96 166.68 10.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.622 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -65.61 -48.1 73.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.451 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.18 -33.61 74.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.694 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.429 ' O ' ' OG1' ' A' ' 26' ' ' THR . 52.9 mm-40 -68.37 -55.75 10.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.711 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.8 mt -56.42 -56.96 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.534 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.675 ' NH1' HD22 ' A' ' 28' ' ' ASN . 14.2 tpt85 -53.04 -53.41 50.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.437 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.532 ' OD2' ' CZ ' ' C' ' 245' ' ' PHE . 4.3 t70 -54.03 -50.57 66.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.384 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.569 ' O ' ' N ' ' A' ' 30' ' ' SER . 17.7 m -50.63 -50.29 54.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.644 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.2 mt -66.75 -25.87 35.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.638 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.675 HD22 ' NH1' ' A' ' 24' ' ' ARG . 1.3 m-80 -100.29 1.86 42.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.15 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.53 ' N ' ' O ' ' A' ' 25' ' ' ASP . 75.3 p -135.85 -7.3 2.13 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.072 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.569 ' N ' ' O ' ' A' ' 26' ' ' THR . 4.7 t -111.89 169.47 8.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.984 0.421 . . . . 0.0 110.904 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.43 ' SG ' ' C ' ' B' ' 147' ' ' GLY . 40.2 m -143.22 36.08 1.36 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.323 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -107.67 99.12 8.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.703 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.7 mt -41.61 -37.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.473 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -59.5 -55.14 38.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.134 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.494 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 9.2 mt -62.25 -46.53 88.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.044 179.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.1 mt -53.07 -45.09 67.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.438 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.38 -49.06 70.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.469 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.29 -43.0 96.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.396 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 86.4 m -59.78 -53.47 57.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.249 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.0 mtp-105 -54.46 -41.09 69.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.42 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -58.43 -56.49 21.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.846 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -67.73 -37.43 82.18 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.756 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -60.13 -34.87 74.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.532 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.452 ' HE2' ' CD2' ' B' ' 173' ' ' LEU . 9.2 m-70 -83.29 -49.64 9.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -50.53 -37.99 42.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.213 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 70.9 mtt-85 -63.67 -15.93 59.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.614 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.9 mt -105.85 -23.58 12.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.599 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' A' ' 50' ' ' TYR . 65.8 mmtt -79.45 -32.26 42.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.743 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 m -43.62 89.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.623 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.54 ' N ' ' O ' ' A' ' 48' ' ' LYS . 10.3 m-85 41.29 62.2 1.56 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.653 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.54 ' N ' ' ND1' ' A' ' 51' ' ' HIS . 3.5 p-80 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.588 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.513 ' CG ' ' H ' ' B' ' 102' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . 0.513 ' H ' ' CG ' ' B' ' 101' ' ' MET . 13.8 tt0 -168.54 87.62 0.2 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.509 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 7.1 pt -100.83 153.39 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.834 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -109.35 122.09 46.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.456 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 57.3 t -108.78 107.2 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.337 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . 0.541 ' HZ2' ' CG2' ' B' ' 166' ' ' THR . 55.3 mttp -91.76 139.17 30.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.933 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 50.9 p -90.38 -146.93 0.19 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.347 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.609 ' CD2' ' H ' ' B' ' 108' ' ' LEU . 0.7 OUTLIER -82.96 -60.95 2.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.546 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 5.6 p -56.45 -45.94 80.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.645 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 150.56 -6.92 0.68 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -45.71 112.24 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.725 0.297 . . . . 0.0 110.535 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.8 m -100.74 116.17 32.01 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.633 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 4.5 mt -105.69 130.56 56.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.434 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 7.5 m -90.24 99.89 12.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.543 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.458 ' N ' ' CD2' ' B' ' 115' ' ' LEU . 4.1 mm? -95.91 129.84 43.04 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.682 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -100.35 98.05 8.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.075 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 22.9 m -122.54 -162.56 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.528 ' N ' ' OD2' ' B' ' 121' ' ' ASP . 37.2 mm-40 -144.56 150.11 46.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.917 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.3 -40.02 27.79 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.536 2.157 . . . . 0.0 112.597 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.6 p -81.83 22.81 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.408 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . 0.528 ' OD2' ' N ' ' B' ' 118' ' ' GLU . 29.7 m-20 -97.58 135.97 38.65 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.307 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 9.7 p -80.79 133.86 35.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.949 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . 0.432 HD13 HG23 ' B' ' 123' ' ' ILE . 31.5 mm -43.69 -51.01 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.29 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -48.76 -42.17 34.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.171 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.685 HD21 ' NZ ' ' B' ' 129' ' ' LYS . 20.9 t30 -61.43 -39.53 91.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.096 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.39 -50.14 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.962 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -51.33 -39.83 57.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.203 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.29 -43.55 97.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.312 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.685 ' NZ ' HD21 ' B' ' 125' ' ' ASN . 42.0 mttp -57.75 -44.52 86.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.267 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 7.4 mt -62.38 -43.53 98.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.218 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -57.34 -28.32 63.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.192 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -79.88 -26.41 40.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.51 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -80.29 -62.1 1.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.498 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -89.92 -106.24 0.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.631 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -171.6 16.8 0.06 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.731 -0.947 . . . . 0.0 110.731 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.438 ' O ' ' OE1' ' B' ' 141' ' ' GLN . 14.8 mt -87.75 114.27 58.26 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 110.5 -0.185 . . . . 0.0 110.5 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -65.28 150.72 87.02 Favored 'Trans proline' 0 C--N 1.314 -1.274 0 C-N-CA 121.523 1.482 . . . . 0.0 111.525 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -48.51 -60.6 0.81 Allowed 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.481 2.12 . . . . 0.0 111.9 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -43.72 -26.41 0.24 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.561 HE22 ' H ' ' B' ' 174' ' ' ARG . 60.8 mm-40 -105.46 34.48 3.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.663 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' B' ' 138' ' ' PRO . 23.8 mt-30 -134.57 161.24 35.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.908 0.385 . . . . 0.0 110.624 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . 0.447 ' NH1' ' OD1' ' A' ' 28' ' ' ASN . 22.2 ttt85 -166.43 116.64 0.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.204 -179.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 17.5 mt -96.82 131.65 43.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.034 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.5 mt -123.93 134.82 65.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.23 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -153.18 150.79 29.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.818 0.342 . . . . 0.0 110.718 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 58.19 22.24 8.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.963 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . 0.43 ' C ' ' SG ' ' A' ' 31' ' ' CYS . . . 73.38 28.9 64.95 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -146.18 147.77 31.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.874 0.369 . . . . 0.0 110.656 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . 0.514 HE22 ' C ' ' B' ' 150' ' ' LEU . 0.9 OUTLIER -78.73 135.31 37.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.24 179.852 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.514 ' C ' HE22 ' B' ' 149' ' ' GLN . 20.6 mt -88.01 118.74 27.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.766 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . 0.678 ' H ' ' HH ' ' B' ' 159' ' ' TYR . 0.5 OUTLIER -59.59 160.08 7.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.559 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.89 -24.54 26.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -100.17 37.63 3.48 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -139.49 174.03 10.93 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 155' ' ' THR . . . . . 0.406 ' OG1' ' OD2' ' B' ' 158' ' ' ASP . 25.6 p -111.09 166.1 11.34 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.76 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 62.9 mt -62.5 -37.93 87.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.461 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 157' ' ' SER . . . . . 0.531 ' C ' ' H ' ' B' ' 159' ' ' TYR . 8.5 t -56.27 -31.62 63.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.812 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . 0.406 ' OD2' ' OG1' ' B' ' 155' ' ' THR . 31.5 m-20 -69.01 11.69 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.687 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . 0.678 ' HH ' ' H ' ' B' ' 151' ' ' GLU . 77.8 m-85 -140.61 3.72 1.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.559 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 6.1 m120 56.92 34.52 24.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.614 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 81.9 mt -79.5 97.28 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.493 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -79.68 -158.78 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.619 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . 0.422 ' NH1' ' OE1' ' B' ' 164' ' ' GLU . 39.7 ptt85 -83.4 158.97 21.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.666 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . 0.422 ' OE1' ' NH1' ' B' ' 163' ' ' ARG . 13.2 mt-10 63.15 23.27 13.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.746 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 50.2 m -82.32 129.92 34.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.452 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 166' ' ' THR . . . . . 0.541 ' CG2' ' HZ2' ' B' ' 106' ' ' LYS . 24.6 m -91.19 104.33 16.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.714 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 4.1 mp -96.12 147.06 24.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.498 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 168' ' ' HIS . . . . . 0.685 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -96.43 119.26 34.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.042 179.699 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 15.9 tp -99.28 111.16 23.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.475 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 1.1 t -112.17 144.09 20.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.234 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' B' ' 173' ' ' LEU . 8.8 mp -82.24 91.13 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.567 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . 0.518 ' CG ' HH22 ' A' ' 24' ' ' ARG . 65.7 ttt180 -46.26 90.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.436 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 173' ' ' LEU . . . . . 0.512 ' N ' ' O ' ' B' ' 171' ' ' LEU . 22.9 mt -61.05 124.05 19.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.54 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 174' ' ' ARG . . . . . 0.561 ' H ' HE22 ' B' ' 140' ' ' GLN . 2.4 tmm_? -81.87 142.37 32.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.533 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 175' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' B' ' 176' ' ' GLY . . . -161.04 -123.92 0.7 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 176' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' B' ' 175' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.657 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 201' ' ' MET . . . . . 0.526 ' N ' ' O ' ' C' ' 217' ' ' VAL . 2.3 ptt? . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -82.55 119.88 24.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.65 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 19.4 pt -113.73 144.73 20.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.643 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -94.33 146.98 23.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.668 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 45.6 t -130.96 110.72 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.37 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -80.55 115.14 19.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.526 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 207' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' C' ' 211' ' ' LYS . 52.4 p -68.76 -163.38 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.469 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 208' ' ' LEU . . . . . 0.605 ' CD2' ' H ' ' C' ' 208' ' ' LEU . 0.7 OUTLIER -81.34 -53.75 6.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.562 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 14.1 p -63.58 -44.22 94.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.577 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 154.82 -32.15 0.67 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 211' ' ' LYS . . . . . 0.432 ' O ' ' OG1' ' C' ' 207' ' ' THR . 43.3 tttp -44.68 128.62 6.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.76 0.314 . . . . 0.0 110.708 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 31.4 m -99.32 158.69 15.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.644 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -136.14 130.16 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.402 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 26.2 m -99.94 96.95 7.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.393 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 10.5 mp -97.29 132.18 43.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.739 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 216' ' ' GLU . . . . . 0.471 ' N ' ' CD ' ' C' ' 216' ' ' GLU . 3.6 mp0 -83.8 126.4 32.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.984 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 217' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' C' ' 201' ' ' MET . 18.8 m -147.49 -161.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.066 0.46 . . . . 0.0 111.105 -179.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 218' ' ' GLU . . . . . 0.505 ' N ' ' OD2' ' C' ' 221' ' ' ASP . 2.1 mt-10 -142.67 170.66 8.38 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.668 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.28 -12.99 20.98 Favored 'Trans proline' 0 C--N 1.311 -1.395 0 C-N-CA 122.461 2.107 . . . . 0.0 112.432 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 220' ' ' SER . . . . . 0.44 ' H ' ' HG ' ' C' ' 220' ' ' SER . 2.7 p -101.73 -5.77 24.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.728 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 221' ' ' ASP . . . . . 0.505 ' OD2' ' N ' ' C' ' 218' ' ' GLU . 37.6 m-20 -66.77 140.69 57.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.428 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 10.3 p -85.8 141.76 29.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 22.2 mm -49.33 -39.6 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.248 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -58.39 -39.57 80.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.298 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 225' ' ' ASN . . . . . 0.518 ' OD1' ' NZ ' ' C' ' 229' ' ' LYS . 39.5 t-20 -65.06 -40.49 94.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.144 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 35.9 t -62.46 -47.52 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.188 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 227' ' ' LYS . . . . . 0.54 ' NZ ' ' O ' ' C' ' 241' ' ' GLN . 28.7 mttm -55.44 -40.13 71.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.242 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -61.77 -44.36 97.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.209 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 229' ' ' LYS . . . . . 0.518 ' NZ ' ' OD1' ' C' ' 225' ' ' ASN . 60.1 mttp -58.35 -45.37 88.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.288 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 59.7 mt -61.05 -37.76 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.29 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -61.24 -36.03 78.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.252 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -72.55 -24.05 61.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.621 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -82.95 -62.79 1.5 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.687 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -86.38 -107.91 0.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.649 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -171.31 13.15 0.05 OUTLIER Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 236' ' ' ILE . . . . . 0.524 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 27.7 mt -89.61 114.17 59.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -63.4 152.48 79.81 Favored 'Trans proline' 0 C--N 1.314 -1.273 0 C-N-CA 121.524 1.483 . . . . 0.0 111.745 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 238' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' C' ' 240' ' ' GLN . 2.7 Cg_endo -47.45 -62.75 0.4 Allowed 'Trans proline' 0 C--N 1.31 -1.492 0 C-N-CA 122.516 2.144 . . . . 0.0 111.88 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -45.45 -15.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.672 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 240' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' C' ' 238' ' ' PRO . 86.5 mt-30 -116.58 33.62 5.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.61 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 241' ' ' GLN . . . . . 0.54 ' O ' ' NZ ' ' C' ' 227' ' ' LYS . 49.0 mt-30 -134.51 166.92 21.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.67 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 242' ' ' ARG . . . . . 0.621 ' NH1' ' ND2' ' D' ' 328' ' ' ASN . 5.9 ttt180 -170.43 147.72 3.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.762 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 11.4 mt -125.09 136.2 53.43 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.093 0.473 . . . . 0.0 111.101 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 244' ' ' ILE . . . . . 0.458 ' O ' ' CG ' ' C' ' 268' ' ' HIS . 1.6 mt -129.13 116.26 39.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.057 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 245' ' ' PHE . . . . . 0.532 ' CZ ' ' OD2' ' A' ' 25' ' ' ASP . 61.9 t80 -100.7 74.54 1.67 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.947 0.404 . . . . 0.0 110.91 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 246' ' ' ALA . . . . . 0.4 ' CB ' ' OD1' ' A' ' 25' ' ' ASP . . . 56.34 88.17 0.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.973 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 247' ' ' GLY . . . . . . . . . . . . . . . 54.75 40.33 71.05 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -150.92 92.47 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.754 0.311 . . . . 0.0 110.901 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 249' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' D' ' 328' ' ' ASN . 10.9 tt0 -73.07 119.48 17.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.781 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 9.3 mt -80.83 141.44 34.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.931 0.395 . . . . 0.0 111.093 -179.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -86.14 161.09 19.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.364 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.16 0.1 54.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.891 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -123.14 34.25 3.76 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -135.81 178.44 7.04 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 255' ' ' THR . . . . . 0.463 ' C ' ' H ' ' C' ' 257' ' ' SER . 30.3 p -117.33 162.94 17.1 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.683 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 71.9 mt -66.83 2.77 1.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.6 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 257' ' ' SER . . . . . 0.463 ' H ' ' C ' ' C' ' 255' ' ' THR . 1.4 t -92.26 -43.77 9.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.726 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -51.0 -31.21 17.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.571 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -98.04 0.98 47.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.73 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 260' ' ' ASN . . . . . 0.406 ' O ' ' OD1' ' C' ' 260' ' ' ASN . 13.5 t-20 62.15 13.13 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.767 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 45.0 mt -51.77 96.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.865 0.364 . . . . 0.0 110.3 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -76.3 -157.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.661 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -84.19 159.0 21.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 58.29 33.96 23.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.776 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 26.7 m -89.95 134.88 33.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.56 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 7.0 m -86.68 113.65 22.72 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.477 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 11.8 mt -109.55 115.74 30.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.704 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 268' ' ' HIS . . . . . 0.645 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.1 OUTLIER -73.39 117.35 15.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.078 179.627 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 35.1 tp -88.8 128.38 35.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.38 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 4.6 t -131.08 168.49 23.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.638 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 271' ' ' LEU . . . . . . . . . . . . . 10.5 mt -99.53 119.84 38.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.532 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -79.92 91.63 5.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.557 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 273' ' ' LEU . . . . . 0.424 ' CD2' ' HE2' ' D' ' 344' ' ' HIS . 17.4 mt -72.99 100.44 2.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.548 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 274' ' ' ARG . . . . . 0.524 ' O ' ' NH2' ' D' ' 324' ' ' ARG . 61.2 ttt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.448 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.855 0.36 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -78.98 92.86 5.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.632 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 315' ' ' LEU . . . . . 0.52 ' C ' ' H ' ' D' ' 317' ' ' LYS . 19.6 mt -97.04 33.83 1.85 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.457 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 13.3 p -71.21 13.44 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.666 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 317' ' ' LYS . . . . . 0.52 ' H ' ' C ' ' D' ' 315' ' ' LEU . 27.5 pttt -157.7 80.91 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.64 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 8.0 m95 -138.88 164.09 30.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.157 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -108.16 161.4 15.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.603 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -63.68 -48.74 75.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.413 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -60.08 -36.03 76.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.613 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 322' ' ' GLU . . . . . 0.416 ' O ' ' OG1' ' D' ' 326' ' ' THR . 39.8 mm-40 -67.77 -55.41 13.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.633 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 13.3 mt -54.64 -56.77 15.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.448 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 324' ' ' ARG . . . . . 0.524 ' NH2' ' O ' ' C' ' 274' ' ' ARG . 4.0 tpt180 -53.09 -52.03 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.497 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 325' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' D' ' 329' ' ' THR . 69.8 m-20 -56.91 -49.45 75.55 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.439 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 326' ' ' THR . . . . . 0.423 ' O ' ' N ' ' D' ' 330' ' ' SER . 18.8 m -51.07 -43.26 60.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.56 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 327' ' ' ILE . . . . . 0.403 HD12 HG22 ' D' ' 327' ' ' ILE . 95.8 mt -77.89 -21.88 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.757 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 328' ' ' ASN . . . . . 0.663 ' N ' HD21 ' D' ' 328' ' ' ASN . 0.7 OUTLIER -102.33 3.83 38.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.985 -179.765 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.512 ' N ' ' O ' ' D' ' 325' ' ' ASP . 82.1 p -139.33 -40.57 0.47 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.683 0.277 . . . . 0.0 111.227 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 330' ' ' SER . . . . . 0.423 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.5 OUTLIER -82.13 162.34 22.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.035 0.445 . . . . 0.0 111.317 -179.335 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 331' ' ' CYS . . . . . 0.483 ' O ' ' SG ' ' D' ' 331' ' ' CYS . 26.5 p -138.35 88.28 2.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.305 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -157.1 95.4 1.49 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.328 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 4.6 mt -38.83 -34.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.798 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -64.07 -59.01 4.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.278 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 19.4 mt -60.96 -48.85 79.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.933 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 39.0 mt -50.58 -45.48 57.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.453 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -62.89 -49.07 76.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.43 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -63.38 -47.24 82.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.706 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 339' ' ' CYS . . . . . . . . . . . . . 75.4 m -55.29 -48.36 74.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.424 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 340' ' ' ARG . . . . . 0.438 HH22 ' HB3' ' C' ' 208' ' ' LEU . 6.8 mtp180 -62.8 -39.63 94.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.474 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -56.88 -57.32 12.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.653 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 342' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -62.85 -33.95 76.33 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.555 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -58.6 -44.87 90.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.288 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 344' ' ' HIS . . . . . 0.424 ' HE2' ' CD2' ' C' ' 273' ' ' LEU . 37.6 m170 -70.39 -51.69 27.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.437 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -47.09 -49.13 22.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.503 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 72.1 mtt-85 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.499 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.769 0.319 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.56 92.85 5.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.582 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.9 mt -92.83 43.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.2 p -95.47 -6.52 40.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.667 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -122.14 41.71 3.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.524 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -109.32 168.28 9.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.548 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -112.54 164.13 13.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.568 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 29.5 t80 -60.59 -49.61 76.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.6 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.45 -39.24 92.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.419 ' O ' ' OG1' ' A' ' 26' ' ' THR . 52.0 mm-40 -60.15 -58.06 10.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.632 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 mt -55.5 -58.01 9.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.542 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.516 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 0.9 OUTLIER -52.8 -45.56 67.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.156 179.846 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 29' ' ' THR . 8.3 t70 -60.33 -49.77 76.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.09 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.541 ' O ' ' N ' ' A' ' 30' ' ' SER . 4.4 m -49.07 -45.95 43.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.46 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.456 ' CD1' ' SG ' ' A' ' 39' ' ' CYS . 89.5 mt -73.55 -28.03 24.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.949 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.516 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 1.9 m-80 -93.28 0.29 56.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.196 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' ASP . 43.8 p -137.0 -44.73 0.57 Allowed 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.357 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.8 OUTLIER -70.75 173.79 6.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.013 0.435 . . . . 0.0 111.323 -179.268 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.425 ' SG ' ' CG2' ' B' ' 144' ' ' ILE . 66.1 m -151.68 86.91 1.34 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.438 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -163.14 102.45 0.98 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.926 0.394 . . . . 0.0 110.537 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.495 ' H ' ' CD1' ' A' ' 33' ' ' ILE . 0.8 OUTLIER -39.24 -44.52 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.77 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -55.16 -58.85 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.407 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.76 -52.49 65.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.102 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.9 mt -50.58 -46.16 57.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.578 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.85 -49.21 77.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.445 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.69 -42.78 99.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.229 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.456 ' SG ' ' CD1' ' A' ' 27' ' ' ILE . 30.9 t -60.75 -53.55 56.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.157 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.2 mtp-105 -55.04 -38.87 68.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.365 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -60.05 -59.67 5.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.664 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -63.24 -35.13 79.3 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.543 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -59.82 -40.55 88.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.304 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.41 ' HE2' ' CD2' ' B' ' 173' ' ' LEU . 19.0 m170 -71.97 -52.55 16.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.315 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.522 ' O ' ' N ' ' A' ' 49' ' ' VAL . 59.6 mtp180 -46.75 -47.7 20.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.451 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.7 mtp85 -52.12 -26.74 11.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.569 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.3 mt -95.84 -53.82 3.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.569 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -68.07 -48.02 66.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.638 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.522 ' N ' ' O ' ' A' ' 45' ' ' ARG . 3.0 t 56.59 -126.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.291 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.432 ' O ' ' O ' ' A' ' 49' ' ' VAL . 0.3 OUTLIER 45.52 98.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.56 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.528 179.94 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.526 ' N ' ' O ' ' B' ' 117' ' ' VAL . 29.4 ttp . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -92.31 125.37 36.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.669 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 17.4 pt -123.42 145.01 31.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.487 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . 0.497 ' CE2' ' OG1' ' B' ' 114' ' ' THR . 78.9 m-85 -98.96 135.67 40.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.669 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 38.5 t -113.89 107.05 21.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.253 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.44 155.12 27.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.63 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 17.1 p -121.61 -174.24 2.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.424 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.625 ' CD2' ' H ' ' B' ' 108' ' ' LEU . 0.7 OUTLIER -81.85 -26.98 33.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.406 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 44.5 p -84.85 3.1 39.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.47 -14.85 63.74 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -56.11 161.64 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 110.535 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 4.7 m -141.37 152.82 44.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.551 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -137.98 126.24 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.431 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' THR . . . . . 0.497 ' OG1' ' CE2' ' B' ' 104' ' ' PHE . 10.6 m -96.93 96.53 8.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.559 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.476 ' CD1' ' N ' ' B' ' 115' ' ' LEU . 8.8 mp -95.7 137.9 34.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.734 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -90.23 123.31 33.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.2 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' B' ' 101' ' ' MET . 16.8 m -147.76 -170.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.018 0.437 . . . . 0.0 110.818 -179.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.528 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 4.5 mt-10 -137.43 148.38 61.54 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.786 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.98 -25.04 2.53 Favored 'Trans proline' 0 C--N 1.31 -1.462 0 C-N-CA 122.385 2.056 . . . . 0.0 112.377 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.34 12.31 18.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.946 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . 0.528 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 1.1 m-20 -84.31 134.8 34.5 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 110.256 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 10.5 p -83.65 135.82 34.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.793 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . 0.433 HG21 HD12 ' B' ' 123' ' ' ILE . 26.2 mm -41.96 -48.65 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.317 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -51.0 -42.69 60.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.164 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.404 ' C ' HD21 ' B' ' 125' ' ' ASN . 0.2 OUTLIER -60.46 -46.89 88.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.022 179.478 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 45.7 t -54.79 -46.78 74.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.941 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . 0.445 ' O ' ' OE1' ' B' ' 141' ' ' GLN . 82.7 mttt -54.73 -36.59 64.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.948 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.4 -49.84 73.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.17 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -55.19 -47.61 74.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.359 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 71.7 mt -56.87 -46.79 83.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.366 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . 0.451 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 2.1 tp60 -54.77 -31.48 58.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.871 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -70.88 -40.33 72.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.627 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -70.59 -64.59 0.87 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.324 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -80.99 -115.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.618 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -168.77 13.04 0.06 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.525 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 45.7 mt -84.69 119.0 72.3 Favored Pre-proline 0 CA--C 1.533 0.289 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -59.94 153.15 59.36 Favored 'Trans proline' 0 C--N 1.314 -1.279 0 C-N-CA 121.476 1.451 . . . . 0.0 111.654 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.515 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -47.8 -65.44 0.18 Allowed 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.501 2.134 . . . . 0.0 111.882 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' B' ' 139' ' ' ASP . 50.1 t0 -42.31 -22.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' B' ' 138' ' ' PRO . 86.5 mt-30 -106.69 33.38 3.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.788 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 78.3 mt-30 -134.65 82.27 1.95 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.7 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . 0.673 HH12 HH21 ' B' ' 172' ' ' ARG . 40.6 ttt85 -90.04 112.22 23.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.994 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.6 mt -92.87 140.64 29.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.076 0.465 . . . . 0.0 111.24 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . 0.425 ' CG2' ' SG ' ' A' ' 31' ' ' CYS . 2.4 mt -133.57 138.03 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.205 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -166.29 144.25 5.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.591 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 71.85 17.9 5.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.8 21.9 70.51 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 37.9 mttm -146.36 149.93 34.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.716 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . 0.527 ' NE2' ' OE1' ' B' ' 151' ' ' GLU . 1.1 tm0? -80.65 131.58 35.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.187 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.444 ' O ' ' OE1' ' B' ' 149' ' ' GLN . 12.5 mt -80.26 113.56 18.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.029 -179.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . 0.527 ' OE1' ' NE2' ' B' ' 149' ' ' GLN . 0.3 OUTLIER -60.97 160.99 8.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.373 179.721 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.21 -24.48 32.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.812 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -97.75 41.33 2.31 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 32.8 mmt-85 -139.65 173.83 11.14 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 155' ' ' THR . . . . . 0.4 ' OG1' ' OD1' ' B' ' 158' ' ' ASP . 35.3 p -117.8 165.01 14.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.928 0.394 . . . . 0.0 110.654 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.94 -34.11 75.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.595 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 157' ' ' SER . . . . . 0.481 ' HG ' ' N ' ' B' ' 158' ' ' ASP . 83.3 p -65.86 -41.63 91.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.685 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . 0.481 ' N ' ' HG ' ' B' ' 157' ' ' SER . 2.7 m-20 -51.15 -39.7 56.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.692 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . 0.427 ' OH ' ' OE2' ' B' ' 151' ' ' GLU . 57.9 m-85 -88.04 8.53 26.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.704 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . 0.411 ' O ' ' OD1' ' B' ' 160' ' ' ASN . 13.8 t-20 61.21 21.17 11.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.75 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 85.9 mt -69.93 102.59 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.369 . . . . 0.0 110.345 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -83.85 -168.14 2.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.729 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -72.75 161.79 30.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.818 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 51.54 38.94 23.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.679 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 30.4 m -102.28 138.94 38.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.492 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 6.2 m -85.1 147.45 26.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.37 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.7 mt -134.31 111.6 10.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.238 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 168' ' ' HIS . . . . . 0.814 ' N ' ' HD1' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -68.77 106.6 2.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.162 -179.794 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 41.2 tp -87.57 130.34 34.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.622 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.0 t -129.24 154.95 40.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.359 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' B' ' 173' ' ' LEU . 7.4 mp -98.1 104.19 16.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.603 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . 0.673 HH21 HH12 ' B' ' 142' ' ' ARG . 60.1 ttt180 -56.09 82.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.393 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 173' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' B' ' 171' ' ' LEU . 34.2 mt -46.64 96.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.656 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 174' ' ' ARG . . . . . 0.531 ' CG ' ' H ' ' B' ' 175' ' ' GLY . 0.0 OUTLIER 42.33 -141.22 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.711 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 175' ' ' GLY . . . . . 0.531 ' H ' ' CG ' ' B' ' 174' ' ' ARG . . . 173.83 -93.5 0.1 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.599 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 201' ' ' MET . . . . . . . . . . . . . 1.4 ptt? . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -96.75 114.19 25.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.727 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 18.6 pt -102.28 149.44 6.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.598 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -102.99 139.98 37.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.705 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 41.0 t -127.7 109.71 20.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.281 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -93.74 132.13 38.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.814 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 70.1 p -84.63 -157.43 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.301 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 208' ' ' LEU . . . . . 0.56 ' N ' ' CD2' ' C' ' 208' ' ' LEU . 3.3 mm? -70.4 -61.41 1.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.55 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 5.7 p -56.27 -45.89 79.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.546 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 143.78 11.51 0.36 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -62.66 110.23 1.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.736 0.303 . . . . 0.0 110.632 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 8.7 m -90.88 134.87 34.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.426 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 2.8 mt -126.94 128.09 70.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.667 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 8.1 m -95.59 122.74 38.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.128 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 30.9 mt -130.41 128.92 42.34 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.877 0.37 . . . . 0.0 110.953 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -77.01 121.48 23.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.221 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 217' ' ' VAL . . . . . . . . . . . . . 15.4 m -147.56 174.03 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.385 . . . . 0.0 110.885 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 218' ' ' GLU . . . . . 0.532 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 76.1 mt-10 -128.39 151.24 76.23 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.0 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.81 -25.89 2.88 Favored 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 122.482 2.121 . . . . 0.0 112.352 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.6 p -80.59 -27.55 37.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.747 0.308 . . . . 0.0 110.944 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 221' ' ' ASP . . . . . 0.532 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 5.0 m-20 -45.71 135.57 6.69 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.964 0.411 . . . . 0.0 110.644 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 222' ' ' THR . . . . . 0.426 ' OG1' ' OD1' ' C' ' 225' ' ' ASN . 17.5 p -90.82 140.17 30.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.648 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 22.5 mm -45.51 -34.12 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.363 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -63.22 -41.58 99.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.264 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 225' ' ' ASN . . . . . 0.426 ' OD1' ' OG1' ' C' ' 222' ' ' THR . 2.8 m120 -63.64 -40.66 97.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.065 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 44.4 t -62.64 -50.76 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.961 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 227' ' ' LYS . . . . . 0.539 ' NZ ' ' O ' ' C' ' 241' ' ' GLN . 19.6 mttm -50.17 -42.35 50.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.177 179.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -61.55 -43.74 98.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.426 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 37.1 mttp -58.52 -38.88 78.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.445 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 8.0 mt -69.25 -33.1 56.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.314 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -66.21 -30.94 71.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.306 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -79.14 -31.17 43.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.631 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm -78.31 -62.44 1.68 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.705 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -86.05 -97.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.593 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 169.66 15.5 0.02 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 236' ' ' ILE . . . . . 0.523 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 53.7 mt -84.26 128.59 61.55 Favored Pre-proline 0 CA--C 1.532 0.283 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -55.58 147.99 56.16 Favored 'Trans proline' 0 C--N 1.313 -1.303 0 C-N-CA 121.645 1.564 . . . . 0.0 111.591 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -51.98 -37.21 67.1 Favored 'Trans proline' 0 C--N 1.309 -1.513 0 C-N-CA 122.246 1.964 . . . . 0.0 111.726 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -66.01 -40.8 91.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.493 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -84.43 36.57 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.536 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 241' ' ' GLN . . . . . 0.539 ' O ' ' NZ ' ' C' ' 227' ' ' LYS . 87.0 mt-30 -134.34 74.72 1.55 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.525 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 242' ' ' ARG . . . . . . . . . . . . . 32.5 ttt85 -89.71 109.44 20.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.215 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 15.3 mt -88.5 131.59 34.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.5 mt -127.18 123.61 62.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.362 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 245' ' ' PHE . . . . . 0.449 ' CZ ' ' OD2' ' A' ' 25' ' ' ASP . 59.6 t80 -112.8 85.51 2.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.737 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 246' ' ' ALA . . . . . 0.486 ' C ' ' H ' ' C' ' 248' ' ' LYS . . . 63.69 61.67 0.98 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.817 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 247' ' ' GLY . . . . . 0.441 ' H ' ' HB3' ' D' ' 331' ' ' CYS . . . 73.95 -18.68 1.86 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 248' ' ' LYS . . . . . 0.486 ' H ' ' C ' ' C' ' 246' ' ' ALA . 76.9 mttt -81.47 93.46 6.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.714 0.292 . . . . 0.0 110.64 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 249' ' ' GLN . . . . . 0.452 ' NE2' ' C ' ' C' ' 249' ' ' GLN . 0.7 OUTLIER -69.54 124.55 24.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.968 179.684 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 250' ' ' LEU . . . . . 0.423 ' O ' ' NE2' ' C' ' 249' ' ' GLN . 10.0 mt -85.08 137.74 32.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.929 0.395 . . . . 0.0 110.909 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.13 159.54 16.04 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.328 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -0.54 32.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.747 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -122.98 40.75 1.93 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -139.57 174.77 10.18 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 255' ' ' THR . . . . . 0.521 ' C ' ' H ' ' C' ' 257' ' ' SER . 19.1 p -118.47 159.63 23.16 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.688 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.34 2.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 257' ' ' SER . . . . . 0.521 ' H ' ' C ' ' C' ' 255' ' ' THR . 25.5 t -96.47 -32.88 12.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.549 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -74.43 15.98 0.3 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.567 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 259' ' ' TYR . . . . . 0.52 ' C ' HD21 ' C' ' 260' ' ' ASN . 69.7 m-85 -140.62 6.72 2.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.514 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 260' ' ' ASN . . . . . 0.604 ' N ' HD21 ' C' ' 260' ' ' ASN . 0.5 OUTLIER 57.68 28.17 15.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.719 179.851 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 91.9 mt -77.94 96.35 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.424 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -79.64 -157.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.754 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.62 161.77 21.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.718 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 52.43 24.37 2.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.593 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 24.2 m -85.48 134.68 34.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.571 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 6.7 m -82.25 151.42 26.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.425 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 8.7 mt -139.61 125.67 19.86 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.446 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 268' ' ' HIS . . . . . 0.754 ' HD1' ' H ' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -81.94 100.55 9.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.309 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 50.4 tp -82.6 133.81 35.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.806 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 2.1 t -132.08 163.71 36.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.249 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 271' ' ' LEU . . . . . . . . . . . . . 7.3 mp -101.39 98.25 8.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.357 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 -46.41 118.36 1.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.531 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 273' ' ' LEU . . . . . 0.528 ' CD2' ' HE2' ' D' ' 344' ' ' HIS . 34.6 mt -97.43 78.26 2.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.526 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.556 179.96 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 . . . . . 0 N--CA 1.461 0.112 0 CA-C-O 120.776 0.322 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -79.28 92.87 5.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.498 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 16.6 mt -94.34 32.5 1.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.493 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 43.9 p -74.84 6.79 3.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.612 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -147.47 73.59 1.29 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.664 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -133.82 158.53 43.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.387 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 319' ' ' LYS . . . . . 0.41 ' N ' ' CD ' ' D' ' 319' ' ' LYS . 3.5 mptp? -99.62 165.02 11.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.55 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 320' ' ' TYR . . . . . 0.476 ' C ' ' CD1' ' D' ' 320' ' ' TYR . 16.0 t80 -65.42 -47.37 76.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.509 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.22 89.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.642 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -64.77 -50.65 65.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.731 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.75 -56.0 24.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.597 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 324' ' ' ARG . . . . . 0.665 ' NH1' HD22 ' D' ' 328' ' ' ASN . 15.6 tpt85 -56.35 -43.18 78.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.546 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 325' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' D' ' 329' ' ' THR . 14.4 t70 -67.57 -46.09 73.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.505 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 326' ' ' THR . . . . . 0.49 ' O ' ' N ' ' D' ' 330' ' ' SER . 96.7 m -55.05 -41.02 70.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.49 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 96.5 mt -73.51 -38.01 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.621 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 328' ' ' ASN . . . . . 0.665 HD22 ' NH1' ' D' ' 324' ' ' ARG . 0.8 OUTLIER -79.17 -21.9 45.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.6 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.476 ' N ' ' O ' ' D' ' 325' ' ' ASP . 68.2 p -103.5 -49.24 3.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.775 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 330' ' ' SER . . . . . 0.49 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.5 OUTLIER -79.07 178.33 8.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.924 -179.696 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 331' ' ' CYS . . . . . 0.441 ' HB3' ' H ' ' C' ' 247' ' ' GLY . 2.4 p -147.84 10.6 0.93 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.149 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -67.36 93.94 0.36 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.361 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 2.1 mt -38.61 -41.2 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.891 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -57.83 -58.76 6.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.278 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 335' ' ' LEU . . . . . 0.501 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 11.1 mt -57.43 -39.21 75.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.057 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 95.7 mt -56.91 -42.47 79.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.135 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -66.15 -47.17 74.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.244 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -70.72 -32.81 70.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.371 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 339' ' ' CYS . . . . . 0.501 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 99.6 m -69.12 -45.21 70.74 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -65.79 -42.82 90.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.913 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 341' ' ' GLU . . . . . 0.462 ' CG ' ' N ' ' D' ' 342' ' ' GLU . 4.7 pt-20 -63.4 -45.19 92.15 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.636 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 342' ' ' GLU . . . . . 0.462 ' N ' ' CG ' ' D' ' 341' ' ' GLU . 3.3 pt-20 -73.27 -36.59 66.37 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.444 -0.503 . . . . 0.0 110.182 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 343' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' D' ' 343' ' ' PHE . 20.4 t80 -59.04 -40.01 83.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.185 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 344' ' ' HIS . . . . . 0.528 ' HE2' ' CD2' ' C' ' 273' ' ' LEU . 10.8 m-70 -75.71 -52.59 10.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.363 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 345' ' ' ARG . . . . . 0.447 HH21 ' CB ' ' D' ' 342' ' ' GLU . 0.5 OUTLIER -46.09 -43.16 14.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.191 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 9.0 mtp85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.559 179.914 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.814 0.34 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.69 92.88 4.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.56 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.7 mt -93.96 44.64 1.13 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.408 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.8 p -64.74 -25.94 68.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.801 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -155.05 112.83 3.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.711 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -135.61 179.47 6.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.15 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -116.58 158.53 23.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.424 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -59.49 -51.24 70.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.687 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.03 -44.35 92.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.77 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.424 ' O ' ' OG1' ' A' ' 26' ' ' THR . 36.0 mm-40 -55.04 -48.82 72.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.6 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.9 mt -62.28 -58.4 7.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.439 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.637 HH12 HH12 ' B' ' 142' ' ' ARG . 1.5 ttt85 -52.95 -49.36 66.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.338 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.527 ' OD2' ' CZ ' ' C' ' 245' ' ' PHE . 4.3 t70 -55.96 -50.59 70.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.214 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.548 ' O ' ' N ' ' A' ' 30' ' ' SER . 33.2 m -50.5 -44.74 56.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.363 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.462 ' CD1' ' SG ' ' A' ' 39' ' ' CYS . 86.4 mt -73.11 -39.31 56.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.635 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.653 HD21 ' N ' ' A' ' 28' ' ' ASN . 0.7 OUTLIER -77.76 -5.53 50.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.113 -179.427 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 68.8 p -125.71 -53.94 1.55 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.031 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.4 t -65.3 170.45 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.056 0.455 . . . . 0.0 111.048 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.8 p -142.69 22.93 1.96 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.326 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.32 97.11 10.61 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.716 -179.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.409 HD12 HG21 ' A' ' 33' ' ' ILE . 5.2 mm -39.34 -38.89 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.568 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.562 ' H ' ' CD ' ' A' ' 34' ' ' GLU . 6.5 mp0 -59.54 -59.02 6.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.387 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.7 mt -59.4 -39.71 84.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.265 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.4 mt -58.18 -43.92 87.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.41 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.3 -49.3 61.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.422 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.4 97.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.267 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.462 ' SG ' ' CD1' ' A' ' 27' ' ' ILE . 51.5 t -59.82 -53.48 57.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.047 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.623 ' HE ' ' CD1' ' B' ' 171' ' ' LEU . 16.6 mtp-105 -54.26 -42.68 70.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.183 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -56.32 -58.9 6.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.816 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -65.14 -37.52 87.68 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.756 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -58.75 -43.68 90.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.799 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -72.12 -55.6 7.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.434 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -45.86 -45.28 14.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.584 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 67.7 mtt-85 -54.3 -28.02 39.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.54 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.3 mt -92.85 -49.04 6.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.567 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -56.3 -45.7 80.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.645 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' TYR . 7.4 p -45.17 119.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.614 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' VAL . 61.1 m-85 35.43 80.15 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.051 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.3 t60 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.565 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -94.13 117.93 30.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.61 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 21.8 pt -104.39 148.47 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.605 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -99.61 147.32 25.49 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.774 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 92.3 t -131.8 106.04 10.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.167 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -94.28 130.29 40.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.76 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' THR . . . . . 0.457 ' HG1' ' H ' ' B' ' 111' ' ' LYS . 71.4 p -86.45 -156.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.504 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.616 ' CD2' ' H ' ' B' ' 108' ' ' LEU . 0.5 OUTLIER -83.32 -37.08 23.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.408 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 6.3 p -77.54 -7.32 56.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.521 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 96.34 19.29 28.38 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.457 ' H ' ' HG1' ' B' ' 107' ' ' THR . 83.3 tttt -79.33 112.73 16.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.726 0.298 . . . . 0.0 110.511 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.6 m -92.02 139.76 30.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.697 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 1.4 mt -133.33 124.48 49.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.42 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 9.1 m -91.51 126.19 36.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.387 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 29.6 mt -131.49 131.74 43.69 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.925 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -78.93 124.19 28.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.191 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 16.5 m -147.44 177.73 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.908 0.385 . . . . 0.0 110.895 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.536 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 81.1 mt-10 -132.61 150.64 76.36 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.971 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.83 -23.12 2.27 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.511 2.141 . . . . 0.0 112.322 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.4 p -92.4 11.24 26.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.009 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . 0.536 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 6.6 m-20 -83.75 131.33 34.92 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.199 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 122' ' ' THR . . . . . 0.535 ' OG1' ' ND2' ' B' ' 125' ' ' ASN . 4.6 p -84.33 134.63 34.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.849 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . 0.42 HD13 HG22 ' B' ' 123' ' ' ILE . 29.1 mm -42.4 -33.33 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.144 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -64.85 -39.71 93.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.186 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.535 ' ND2' ' OG1' ' B' ' 122' ' ' THR . 56.8 m-80 -65.09 -39.59 93.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.936 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 21.2 t -64.05 -44.32 97.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.051 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -57.31 -38.03 73.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.096 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.68 -43.5 93.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.194 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -58.45 -49.52 77.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.316 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 30.3 mt -57.79 -49.93 79.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.269 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . 0.427 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.9 OUTLIER -50.34 -36.01 30.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.372 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -69.85 -30.65 68.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.434 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -77.5 -63.55 1.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.446 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -79.65 -83.33 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.513 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 156.66 13.11 0.05 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.512 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 52.3 mt -85.2 127.62 63.27 Favored Pre-proline 0 CA--C 1.533 0.294 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -56.23 149.68 53.4 Favored 'Trans proline' 0 C--N 1.314 -1.26 0 C-N-CA 121.673 1.582 . . . . 0.0 111.651 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -50.78 -36.28 51.26 Favored 'Trans proline' 0 C--N 1.31 -1.457 0 C-N-CA 122.318 2.012 . . . . 0.0 111.885 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . 0.507 ' C ' ' H ' ' B' ' 141' ' ' GLN . 52.6 t0 -69.26 -48.55 61.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.83 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -72.7 37.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.794 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . 0.512 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 79.4 mt-30 -134.39 156.33 48.71 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.626 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . 0.671 HH21 ' NE2' ' B' ' 149' ' ' GLN . 12.2 ttt85 -159.35 138.28 11.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.013 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.4 mt -121.16 136.83 54.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.078 0.466 . . . . 0.0 111.057 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.8 mt -126.86 140.74 48.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.148 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' B' ' 148' ' ' LYS . 50.6 t80 -148.01 153.14 38.58 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.663 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 41.64 26.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.688 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' B' ' 145' ' ' PHE . . . 72.66 43.46 43.38 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' B' ' 145' ' ' PHE . 34.8 mtmm -150.03 135.47 18.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.785 0.326 . . . . 0.0 110.594 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . 0.671 ' NE2' HH21 ' B' ' 142' ' ' ARG . 16.8 tt0 -75.41 125.69 29.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.362 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 15.1 mt -82.64 137.43 34.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.751 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . 0.461 ' OE1' ' NH2' ' B' ' 154' ' ' ARG . 33.8 mt-10 -81.23 160.54 24.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.487 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' B' ' 152' ' ' ASP . 0.0 OUTLIER -82.72 -17.48 44.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.66 -179.823 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -105.27 40.87 2.32 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.254 -0.739 . . . . 0.0 111.254 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . 0.461 ' NH2' ' OE1' ' B' ' 151' ' ' GLU . 30.4 mmt-85 -139.57 167.77 21.35 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 17.7 p -113.04 158.14 20.68 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.961 0.41 . . . . 0.0 110.822 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 91.9 mt -55.99 -26.83 50.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.634 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 9.7 t -69.66 -43.32 72.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.713 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -50.32 -42.11 52.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.708 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -86.42 5.23 36.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.578 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . 0.52 ' O ' ' NE2' ' B' ' 162' ' ' GLN . 7.1 m-80 62.94 15.15 8.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.801 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 69.8 mt -59.51 109.41 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.398 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' B' ' 160' ' ' ASN . 51.0 mm-40 -83.9 -156.98 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.766 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -85.76 157.25 20.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.77 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 56.58 31.48 19.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.809 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 36.4 m -82.35 136.7 34.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.561 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 4.0 m -88.47 108.77 19.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.615 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 12.1 mt -101.93 127.94 48.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.549 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 168' ' ' HIS . . . . . 0.648 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -83.55 115.95 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.25 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 33.0 tp -92.1 125.17 36.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.438 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.2 t -132.11 157.06 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.3 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . 0.623 ' CD1' ' HE ' ' A' ' 40' ' ' ARG . 13.4 mt -83.0 121.15 26.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.641 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -75.79 61.55 1.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.522 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 173' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' B' ' 174' ' ' ARG . 18.2 mt -43.85 104.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.595 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 174' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' B' ' 173' ' ' LEU . 20.5 mmm180 47.19 -175.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.537 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 173.04 -56.56 0.15 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 201' ' ' MET . . . . . 0.481 ' N ' ' O ' ' C' ' 217' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -87.35 122.23 30.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.422 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 21.1 pt -111.5 148.74 14.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.762 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -98.35 139.34 34.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.543 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 62.9 t -125.63 112.87 32.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.437 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -80.29 118.7 22.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.506 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 207' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' C' ' 211' ' ' LYS . 29.9 p -72.2 -165.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.417 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 208' ' ' LEU . . . . . 0.618 ' CD2' ' H ' ' C' ' 208' ' ' LEU . 0.5 OUTLIER -81.09 -54.77 5.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.464 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 82.8 p -57.54 -47.28 82.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.463 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 145.75 8.4 0.32 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 211' ' ' LYS . . . . . 0.429 ' O ' ' OG1' ' C' ' 207' ' ' THR . 81.0 tttt -83.95 120.85 26.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.799 0.333 . . . . 0.0 110.627 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 22.6 m -85.61 156.1 20.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.461 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 2.4 mt -138.67 127.27 29.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.655 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 32.4 m -96.47 111.44 23.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.195 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 21.0 mt -116.05 135.13 54.23 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.998 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 216' ' ' GLU . . . . . 0.501 ' O ' ' NZ ' ' C' ' 229' ' ' LYS . 57.7 mt-10 -79.95 122.38 26.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.092 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 217' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' C' ' 201' ' ' MET . 9.4 m -146.8 169.41 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.951 0.405 . . . . 0.0 111.039 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 218' ' ' GLU . . . . . 0.57 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 71.4 mt-10 -123.19 150.37 59.75 Favored Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.939 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.14 -24.42 2.38 Favored 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.577 2.184 . . . . 0.0 112.457 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 220' ' ' SER . . . . . 0.423 ' H ' ' HG ' ' C' ' 220' ' ' SER . 3.4 p -84.77 -25.42 28.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.049 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 221' ' ' ASP . . . . . 0.57 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 9.6 m-20 -44.33 135.44 4.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.953 0.406 . . . . 0.0 110.658 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 222' ' ' THR . . . . . 0.475 ' O ' ' N ' ' C' ' 225' ' ' ASN . 18.2 p -89.76 137.15 32.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.574 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 21.1 mm -40.74 -53.02 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.557 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -50.41 -35.91 30.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.257 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 225' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' C' ' 222' ' ' THR . 0.9 OUTLIER -65.46 -39.71 92.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.029 179.43 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.34 -44.42 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.855 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -57.17 -38.97 74.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.021 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.33 -41.22 98.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.12 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 229' ' ' LYS . . . . . 0.501 ' NZ ' ' O ' ' C' ' 216' ' ' GLU . 54.0 mttt -60.48 -43.8 96.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.094 179.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 59.5 mt -67.35 -21.86 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.452 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -76.37 -32.07 58.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.138 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -77.39 -30.89 53.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.423 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -82.58 -55.51 4.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -83.96 -101.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.514 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 172.01 8.21 0.02 OUTLIER Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 236' ' ' ILE . . . . . 0.535 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 55.8 mt -87.95 120.17 70.69 Favored Pre-proline 0 C--N 1.328 -0.338 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.11 149.37 85.17 Favored 'Trans proline' 0 C--N 1.315 -1.21 0 C-N-CA 121.46 1.44 . . . . 0.0 111.576 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 238' ' ' PRO . . . . . 0.511 ' C ' ' H ' ' C' ' 240' ' ' GLN . 2.7 Cg_endo -49.94 -55.55 4.0 Favored 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.296 1.997 . . . . 0.0 111.822 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -50.78 -9.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.699 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 240' ' ' GLN . . . . . 0.511 ' H ' ' C ' ' C' ' 238' ' ' PRO . 25.8 mt-30 -119.56 31.15 6.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.503 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 241' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 72.2 mt-30 -134.41 169.72 16.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.622 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 242' ' ' ARG . . . . . 0.624 HH12 ' ND2' ' D' ' 328' ' ' ASN . 4.0 ttt180 -170.4 150.37 3.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.906 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 15.2 mt -128.12 132.33 48.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.112 0.482 . . . . 0.0 110.909 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.7 mt -128.54 120.35 52.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.276 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 245' ' ' PHE . . . . . 0.527 ' CZ ' ' OD2' ' A' ' 25' ' ' ASP . 34.1 t80 -107.83 78.09 1.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.708 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 246' ' ' ALA . . . . . 0.524 ' C ' ' H ' ' C' ' 248' ' ' LYS . . . 68.7 67.29 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 247' ' ' GLY . . . . . 0.409 ' H ' ' HB3' ' D' ' 331' ' ' CYS . . . 70.13 -15.52 1.02 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 248' ' ' LYS . . . . . 0.524 ' H ' ' C ' ' C' ' 246' ' ' ALA . 46.1 mtmt -86.63 93.11 9.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.738 0.304 . . . . 0.0 110.75 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -70.98 127.01 31.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.173 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 9.5 mt -86.44 138.4 31.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.879 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -85.02 159.16 20.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.548 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 252' ' ' ASP . . . . . 0.437 ' OD2' ' NH2' ' C' ' 272' ' ' ARG . 0.4 OUTLIER -80.72 -1.32 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.853 -179.776 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -122.91 38.42 2.52 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.03 176.05 9.04 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 255' ' ' THR . . . . . 0.594 ' HG1' ' H ' ' C' ' 257' ' ' SER . 20.6 p -119.23 158.4 26.08 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.601 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 93.6 mt -60.26 -0.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.581 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 257' ' ' SER . . . . . 0.594 ' H ' ' HG1' ' C' ' 255' ' ' THR . 44.7 t -96.23 -22.4 17.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.618 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -79.78 12.81 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.641 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -140.62 7.66 2.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.598 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 4.0 m120 59.63 23.64 12.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.729 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 79.6 mt -71.14 103.02 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.446 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -81.57 -157.75 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.729 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -84.22 157.04 21.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.668 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 57.31 34.27 24.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.811 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 35.5 m -88.77 135.53 33.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.637 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 19.2 m -89.49 118.05 28.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.445 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 10.9 mt -110.29 124.77 52.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.79 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 268' ' ' HIS . . . . . 0.642 ' HD1' ' H ' ' C' ' 268' ' ' HIS . 0.7 OUTLIER -77.69 109.85 12.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.267 179.722 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 13.0 tp -78.81 142.86 36.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.756 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 270' ' ' VAL . . . . . 0.426 ' CG1' ' H ' ' C' ' 271' ' ' LEU . 6.4 t -145.95 173.36 3.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.384 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 271' ' ' LEU . . . . . 0.426 ' H ' ' CG1' ' C' ' 270' ' ' VAL . 50.8 mt -110.82 122.88 48.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.513 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 272' ' ' ARG . . . . . 0.437 ' NH2' ' OD2' ' C' ' 252' ' ' ASP . 17.9 ttm180 -84.6 110.62 18.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.615 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 273' ' ' LEU . . . . . 0.521 ' CD2' ' HE2' ' D' ' 344' ' ' HIS . 9.0 mt -82.1 143.86 31.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.64 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.59 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 313' ' ' TYR . . . . . 0.475 ' CD1' ' N ' ' D' ' 313' ' ' TYR . 8.3 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.727 0.298 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -80.1 92.78 5.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.465 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 12.2 mt -101.62 45.29 0.97 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.505 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 15.0 m -82.98 -8.32 59.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.785 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -136.05 74.99 1.53 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.738 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -129.96 165.86 21.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.354 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -110.28 164.2 12.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.629 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -61.85 -49.59 75.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.448 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -61.44 -42.57 98.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.71 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -57.99 -54.81 42.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.693 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.3 -60.34 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.561 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 324' ' ' ARG . . . . . 0.516 ' O ' ' ND2' ' D' ' 328' ' ' ASN . 8.3 tpt180 -53.0 -41.7 64.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.473 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 325' ' ' ASP . . . . . 0.451 ' O ' ' OG1' ' D' ' 329' ' ' THR . 5.1 t70 -65.5 -47.62 75.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.561 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 326' ' ' THR . . . . . 0.56 ' O ' ' N ' ' D' ' 330' ' ' SER . 57.2 m -53.37 -47.82 69.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.697 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 88.4 mt -70.93 -31.44 45.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.561 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 328' ' ' ASN . . . . . 0.624 ' ND2' HH12 ' C' ' 242' ' ' ARG . 0.8 OUTLIER -87.7 -4.62 58.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.572 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' D' ' 325' ' ' ASP . 71.4 p -127.41 -15.88 5.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.947 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 330' ' ' SER . . . . . 0.56 ' N ' ' O ' ' D' ' 326' ' ' THR . 1.9 t -114.36 165.48 12.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.062 0.458 . . . . 0.0 110.815 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 331' ' ' CYS . . . . . 0.409 ' HB3' ' H ' ' C' ' 247' ' ' GLY . 8.9 p -134.61 11.82 3.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.986 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.44 90.89 0.54 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.446 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 2.7 mt -38.0 -38.51 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.856 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -59.05 -58.34 9.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.214 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.26 -44.2 95.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.163 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 71.0 mt -50.54 -45.04 56.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.335 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -67.96 -45.89 72.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.483 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -61.43 -46.57 89.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.625 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 339' ' ' CYS . . . . . . . . . . . . . 84.0 m -61.43 -53.28 58.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.364 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 340' ' ' ARG . . . . . 0.418 HH22 ' HB3' ' C' ' 208' ' ' LEU . 7.2 mtp180 -55.86 -35.32 66.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.266 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -64.35 -53.4 49.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.607 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 342' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -67.42 -35.9 80.17 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.55 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 343' ' ' PHE . . . . . 0.415 ' CG ' ' CD1' ' C' ' 273' ' ' LEU . 1.7 t80 -60.64 -45.06 95.5 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.295 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 344' ' ' HIS . . . . . 0.521 ' HE2' ' CD2' ' C' ' 273' ' ' LEU . 42.2 m170 -67.5 -53.39 29.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.392 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -45.89 -55.47 6.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.407 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 74.5 mtt-85 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.448 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.791 0.329 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 22.6 p30 -78.97 92.84 4.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.492 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.426 ' O ' ' OE2' ' A' ' 42' ' ' GLU . 20.7 mt -100.1 44.98 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.67 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.9 m -90.1 -26.41 20.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.698 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -97.87 40.55 1.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.775 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -110.28 165.36 11.83 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.559 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.518 ' N ' ' OE1' ' A' ' 22' ' ' GLU . 41.0 mttm -115.02 167.57 10.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.581 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.441 ' HH ' ' C ' ' B' ' 175' ' ' GLY . 8.9 t80 -62.18 -48.31 80.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.378 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.6 -38.7 91.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.741 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 19' ' ' LYS . 79.4 mt-10 -62.17 -56.71 16.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.757 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.6 mt -56.07 -56.21 23.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.699 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -53.03 -53.25 52.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.548 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 29' ' ' THR . 17.4 m-20 -52.81 -51.09 62.19 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.49 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.631 ' O ' ' N ' ' A' ' 30' ' ' SER . 38.6 m -51.32 -56.69 11.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.528 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.2 mt -59.61 -25.85 32.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.437 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -95.38 -5.64 42.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.283 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 25' ' ' ASP . 30.5 p -135.16 3.61 3.15 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.228 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.631 ' N ' ' O ' ' A' ' 26' ' ' THR . 7.0 t -115.16 167.28 10.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.97 0.414 . . . . 0.0 110.88 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.442 ' SG ' ' C ' ' B' ' 147' ' ' GLY . 75.3 m -144.22 36.38 1.23 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.363 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.45 107.23 16.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.572 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.403 HD11 HG23 ' A' ' 33' ' ' ILE . 3.4 mm -41.98 -42.39 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.5 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.63 -58.33 9.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.441 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.494 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 40.7 mt -58.69 -46.54 87.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.287 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.8 mt -58.05 -48.1 81.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.364 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.43 -49.15 64.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.685 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.33 -42.71 99.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.563 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 70.7 m -60.36 -49.46 77.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.562 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.504 ' NH2' ' CE1' ' A' ' 44' ' ' HIS . 16.9 mtp-105 -64.64 -32.18 73.73 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.458 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -62.64 -54.98 31.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.443 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.426 ' OE2' ' O ' ' A' ' 15' ' ' LEU . 4.0 pt-20 -64.39 -36.3 83.69 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.447 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.404 ' CG ' ' CD1' ' B' ' 173' ' ' LEU . 1.8 t80 -57.49 -51.48 69.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.119 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.504 ' CE1' ' NH2' ' A' ' 40' ' ' ARG . 16.6 m170 -62.57 -49.16 76.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.287 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.99 -39.85 42.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.236 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -63.87 -43.51 95.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.664 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.45 -21.21 61.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.418 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -76.04 -58.19 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.471 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.1 m -75.1 -156.39 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.542 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.438 ' CD2' ' O ' ' A' ' 50' ' ' TYR . 27.2 p90 -151.4 117.55 5.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.531 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 37.1 m80 . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.57 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.526 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -93.99 107.68 19.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.629 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 17.8 pt -99.1 148.09 6.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.533 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -103.29 146.06 29.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.573 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 46.2 t -126.95 104.16 12.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.181 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.26 158.82 27.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.649 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 39.9 p -126.94 -175.94 3.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.291 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.614 ' CD2' ' H ' ' B' ' 108' ' ' LEU . 1.2 mm? -76.66 -33.7 58.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.403 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 33.7 p -79.2 9.24 4.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.572 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 86.61 -28.85 5.15 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -45.83 160.66 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 110.522 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 16.7 m -142.35 159.0 43.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.47 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 2.6 mt -140.39 128.2 24.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.696 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 5.8 m -100.46 124.49 46.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.248 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 28.1 mt -130.2 136.11 48.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.885 0.374 . . . . 0.0 110.822 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -81.79 124.73 29.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.155 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' B' ' 101' ' ' MET . 9.2 m -147.05 -175.81 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.919 0.39 . . . . 0.0 110.868 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.55 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 14.6 mm-40 -132.23 147.4 65.59 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.918 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.77 -18.3 0.51 Allowed 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 122.419 2.079 . . . . 0.0 112.211 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 120' ' ' SER . . . . . 0.453 ' H ' ' HG ' ' B' ' 120' ' ' SER . 3.6 p -89.29 -24.33 22.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.852 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . 0.55 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 1.2 m-20 -45.18 139.07 3.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.99 0.424 . . . . 0.0 110.66 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 122' ' ' THR . . . . . 0.458 ' O ' ' N ' ' B' ' 125' ' ' ASN . 19.2 p -89.68 135.68 33.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.698 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . 0.414 HG22 HD13 ' B' ' 123' ' ' ILE . 20.8 mm -42.69 -47.69 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.316 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -53.67 -37.11 62.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.102 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.513 ' OD1' ' NZ ' ' B' ' 129' ' ' LYS . 38.2 t-20 -64.94 -40.59 95.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.191 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 85.5 t -63.11 -45.56 98.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.155 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -56.85 -39.11 73.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.113 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . 0.417 ' O ' ' OD1' ' B' ' 132' ' ' ASP . . . -63.22 -44.82 94.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.295 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.513 ' NZ ' ' OD1' ' B' ' 125' ' ' ASN . 49.2 mttp -57.83 -52.46 65.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.324 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 87.1 mt -55.0 -43.7 70.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.414 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . 0.435 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.8 OUTLIER -57.3 -29.56 64.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.226 179.694 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' B' ' 128' ' ' ALA . 3.8 m-20 -72.5 -40.38 66.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.471 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -70.69 -64.27 0.93 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.305 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -78.68 -83.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.605 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 158.5 -7.49 0.17 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 48.6 mt -56.45 114.55 7.97 Favored Pre-proline 0 C--N 1.328 -0.355 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -62.15 147.68 94.61 Favored 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 121.467 1.445 . . . . 0.0 111.479 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.515 ' C ' ' H ' ' B' ' 140' ' ' GLN . 2.8 Cg_endo -49.77 -41.21 47.01 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.262 1.974 . . . . 0.0 111.801 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.34 10.99 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.72 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.515 ' H ' ' C ' ' B' ' 138' ' ' PRO . 60.7 mt-30 -141.23 41.96 1.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.478 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -134.43 166.12 23.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.653 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . 0.526 ' NH2' ' OE1' ' B' ' 149' ' ' GLN . 34.9 ttt85 -170.04 108.05 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.32 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 16.3 mt -95.6 135.58 37.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.02 0.438 . . . . 0.0 111.074 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.7 mt -128.16 141.97 45.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.075 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . 0.529 ' C ' ' H ' ' B' ' 147' ' ' GLY . 39.5 t80 -158.01 147.21 19.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.922 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 66.88 -9.98 0.33 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.285 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . 0.529 ' H ' ' C ' ' B' ' 145' ' ' PHE . . . 110.08 24.02 5.89 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -146.04 157.07 43.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.905 0.384 . . . . 0.0 110.629 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . 0.526 ' OE1' ' NH2' ' B' ' 142' ' ' ARG . 34.8 tt0 -84.7 135.89 33.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.353 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 12.9 mt -86.27 130.82 34.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.637 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . 0.423 ' CD ' ' H ' ' B' ' 152' ' ' ASP . 1.3 tm-20 -73.61 159.57 32.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.424 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . 0.423 ' H ' ' CD ' ' B' ' 151' ' ' GLU . 1.7 m-20 -78.15 -40.36 38.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.719 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -85.48 45.66 3.53 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 22.7 mmt-85 -139.74 174.25 10.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.686 0.279 . . . . 0.0 110.412 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 31.0 p -119.92 166.91 12.7 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.902 0.382 . . . . 0.0 110.825 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.2 -0.84 3.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.695 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 157' ' ' SER . . . . . 0.457 ' C ' ' H ' ' B' ' 159' ' ' TYR . 46.0 t -93.4 -33.76 13.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.635 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.63 15.46 0.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.636 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . 0.457 ' H ' ' C ' ' B' ' 157' ' ' SER . 59.5 m-85 -140.74 8.67 2.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.507 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . 0.552 ' N ' HD21 ' B' ' 160' ' ' ASN . 1.7 m120 55.85 30.01 15.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.795 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 97.0 mt -81.17 99.99 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.453 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -82.65 -157.47 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.704 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -82.97 161.58 21.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.764 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 54.26 18.01 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.527 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 18.1 m -81.23 133.79 35.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.536 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 166' ' ' THR . . . . . 0.469 ' O ' ' CD1' ' B' ' 145' ' ' PHE . 5.9 m -81.86 154.76 25.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.604 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.2 mt -139.62 114.97 9.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.124 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 168' ' ' HIS . . . . . 0.635 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.1 OUTLIER -69.74 116.99 10.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.433 -179.801 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.87 127.48 41.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.553 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 1.4 t -136.35 140.29 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.276 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . 0.604 ' CD2' ' N ' ' B' ' 171' ' ' LEU . 0.3 OUTLIER -91.56 136.09 33.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.745 -179.476 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -89.78 97.85 11.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.394 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 173' ' ' LEU . . . . . 0.434 ' CD2' ' HE2' ' A' ' 44' ' ' HIS . 16.2 mt -61.11 128.95 38.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.532 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -75.28 141.64 43.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.564 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 175' ' ' GLY . . . . . 0.441 ' C ' ' HH ' ' A' ' 20' ' ' TYR . . . 173.47 152.93 9.2 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 201' ' ' MET . . . . . 0.515 ' N ' ' O ' ' C' ' 217' ' ' VAL . 1.9 ptt? . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -89.92 111.37 22.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.604 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 6.1 pt -103.74 150.16 7.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.65 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -94.56 149.93 20.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.336 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 71.5 t -136.85 106.54 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.352 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 206' ' ' LYS . . . . . 0.446 ' CB ' ' NZ ' ' C' ' 206' ' ' LYS . 7.2 mtpm? -91.89 140.61 29.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.643 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 58.3 p -89.24 -168.26 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.23 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 208' ' ' LEU . . . . . 0.61 ' CD2' ' H ' ' C' ' 208' ' ' LEU . 0.4 OUTLIER -86.56 23.12 1.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.467 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 17.7 p -136.51 -38.95 0.66 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.446 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 141.64 -0.73 1.71 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 211' ' ' LYS . . . . . 0.481 ' HZ3' ' CD ' ' C' ' 234' ' ' GLU . 78.8 tttt -69.52 111.56 5.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.645 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 22.6 m -97.32 141.71 30.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.516 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.86 127.06 55.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.633 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 23.0 m -91.78 112.39 24.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.185 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 17.8 mt -111.33 129.08 56.11 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.052 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -85.03 112.22 20.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.031 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 217' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' C' ' 201' ' ' MET . 23.6 m -137.5 -162.05 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.026 0.441 . . . . 0.0 111.001 -179.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 218' ' ' GLU . . . . . 0.524 ' N ' ' OD2' ' C' ' 221' ' ' ASP . 6.5 mt-10 -141.01 170.37 9.56 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.615 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -74.51 -14.64 22.34 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 C-N-CA 122.351 2.034 . . . . 0.0 112.499 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 8.3 t -100.09 -11.04 20.86 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.924 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 221' ' ' ASP . . . . . 0.524 ' OD2' ' N ' ' C' ' 218' ' ' GLU . 45.6 m-20 -59.88 142.55 53.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.935 0.397 . . . . 0.0 110.533 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 222' ' ' THR . . . . . 0.571 ' HG1' ' H ' ' C' ' 225' ' ' ASN . 23.4 p -84.61 135.81 34.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.852 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 223' ' ' ILE . . . . . 0.412 HD12 HG21 ' C' ' 223' ' ' ILE . 23.8 mm -45.96 -49.49 4.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.263 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -50.27 -40.99 49.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.294 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 225' ' ' ASN . . . . . 0.571 ' H ' ' HG1' ' C' ' 222' ' ' THR . 44.6 t-20 -62.63 -36.64 83.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.026 179.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 16.5 t -64.85 -51.75 63.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.023 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -51.65 -38.14 53.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.14 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.91 -43.91 94.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.196 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 229' ' ' LYS . . . . . 0.501 ' NZ ' ' OD1' ' C' ' 225' ' ' ASN . 38.6 mttp -57.68 -39.84 78.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.005 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 9.0 mt -67.17 -34.95 72.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.0 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.61 -29.2 70.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.143 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -79.78 -30.68 40.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.496 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 48.5 mmtt -77.55 -62.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.674 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 234' ' ' GLU . . . . . 0.481 ' CD ' ' HZ3' ' C' ' 211' ' ' LYS . 27.4 mm-40 -87.44 -107.32 0.07 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.706 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -171.96 17.17 0.05 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 236' ' ' ILE . . . . . 0.495 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 18.0 mt -91.65 112.92 56.88 Favored Pre-proline 0 CA--C 1.532 0.27 0 N-CA-C 110.472 -0.196 . . . . 0.0 110.472 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -63.4 152.72 78.67 Favored 'Trans proline' 0 C--N 1.314 -1.249 0 C-N-CA 121.611 1.541 . . . . 0.0 111.662 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 238' ' ' PRO . . . . . 0.525 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.7 Cg_endo -47.34 -66.18 0.15 Allowed 'Trans proline' 0 C--N 1.31 -1.499 0 C-N-CA 122.608 2.206 . . . . 0.0 111.923 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -42.38 -20.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.732 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 240' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' C' ' 238' ' ' PRO . 67.3 mt-30 -108.57 34.23 3.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.631 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 241' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' C' ' 238' ' ' PRO . 61.4 mt-30 -134.56 162.64 31.72 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.649 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 242' ' ' ARG . . . . . . . . . . . . . 43.7 ttt85 -170.2 109.02 0.37 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.98 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 22.0 mt -93.13 137.85 32.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.138 0.494 . . . . 0.0 111.255 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.7 mt -125.07 145.82 31.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.679 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 245' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -132.45 72.92 1.5 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.841 0.353 . . . . 0.0 111.222 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 60.11 87.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.073 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 247' ' ' GLY . . . . . . . . . . . . . . . 50.95 37.86 36.98 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -149.8 92.65 1.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.738 0.304 . . . . 0.0 110.645 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 249' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' C' ' 250' ' ' LEU . 20.3 tm0? -70.28 121.14 17.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.045 179.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 250' ' ' LEU . . . . . 0.522 ' O ' ' NE2' ' C' ' 249' ' ' GLN . 10.2 mt -76.75 123.19 25.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.337 . . . . 0.0 110.881 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -72.82 159.48 33.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.318 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 252' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' C' ' 252' ' ' ASP . 0.4 OUTLIER -79.69 -36.43 37.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.974 -179.751 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -90.07 38.9 3.15 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -139.68 -179.7 6.07 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 255' ' ' THR . . . . . 0.428 ' OG1' ' OG ' ' C' ' 257' ' ' SER . 82.7 p -118.4 175.45 5.71 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.826 0.346 . . . . 0.0 110.777 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 70.3 mt -76.43 1.51 16.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.777 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 257' ' ' SER . . . . . 0.543 ' C ' ' H ' ' C' ' 259' ' ' TYR . 2.9 p -93.86 -33.37 13.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.757 0.313 . . . . 0.0 110.637 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -70.15 14.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.638 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 259' ' ' TYR . . . . . 0.543 ' H ' ' C ' ' C' ' 257' ' ' SER . 76.3 m-85 -140.61 9.76 2.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.548 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 260' ' ' ASN . . . . . 0.46 ' O ' ' ND2' ' C' ' 260' ' ' ASN . 7.7 t30 51.23 38.05 20.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.745 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 80.9 mt -84.33 103.63 11.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.479 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -81.62 -158.83 0.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.637 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -85.2 157.66 20.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.633 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 58.42 26.52 14.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.8 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 30.6 m -82.14 137.16 35.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.541 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 3.6 m -83.26 120.06 25.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.644 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 3.3 mp -114.35 127.02 55.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.219 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 268' ' ' HIS . . . . . 0.683 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.0 OUTLIER -84.9 116.93 23.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.253 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 19.1 tp -93.0 116.92 29.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.386 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -122.77 134.41 66.03 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 271' ' ' LEU . . . . . 0.425 ' CD1' ' N ' ' C' ' 271' ' ' LEU . 8.1 mp -74.63 108.41 7.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.671 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 272' ' ' ARG . . . . . 0.613 ' NE ' HH22 ' D' ' 324' ' ' ARG . 39.5 ttt180 -67.64 100.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.532 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 273' ' ' LEU . . . . . . . . . . . . . 22.3 mt -79.63 91.79 5.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.613 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.622 179.926 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.766 0.317 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -79.53 92.96 5.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.578 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 14.6 mt -104.64 31.39 4.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.553 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 27.5 p -82.53 18.56 1.46 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.654 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -146.13 40.95 1.16 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.635 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -108.94 174.69 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.519 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -118.02 167.04 11.82 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.61 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -60.8 -48.28 82.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.529 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -66.41 -41.12 89.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -57.8 -49.36 76.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.74 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 14.5 mt -65.13 -56.77 11.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.704 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 324' ' ' ARG . . . . . 0.613 HH22 ' NE ' ' C' ' 272' ' ' ARG . 2.6 ttt85 -53.08 -44.76 67.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.66 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 325' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' D' ' 329' ' ' THR . 8.9 m-20 -58.96 -50.63 73.34 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.357 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 326' ' ' THR . . . . . 0.54 ' O ' ' N ' ' D' ' 330' ' ' SER . 19.1 m -53.33 -44.32 68.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.511 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 79.5 mt -74.82 -28.52 21.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.516 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 328' ' ' ASN . . . . . 0.508 ' N ' HD21 ' D' ' 328' ' ' ASN . 1.1 m-80 -92.06 -1.74 57.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.036 -179.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.467 ' N ' ' O ' ' D' ' 325' ' ' ASP . 80.7 p -132.85 -46.14 0.87 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.152 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 330' ' ' SER . . . . . 0.54 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.7 OUTLIER -71.66 170.59 13.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.114 0.483 . . . . 0.0 111.214 -179.39 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 331' ' ' CYS . . . . . . . . . . . . . 90.6 m -147.54 40.23 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.388 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.05 99.24 8.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.583 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . 0.411 HG21 HD12 ' D' ' 333' ' ' ILE . 6.1 mm -38.66 -37.98 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.635 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -61.19 -58.78 6.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.28 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 335' ' ' LEU . . . . . 0.486 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 12.0 mt -60.19 -49.18 78.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.259 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 73.2 mt -50.45 -45.37 55.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.486 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -64.65 -49.26 71.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.648 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -61.09 -43.98 98.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.39 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 339' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 67.4 m -57.03 -53.45 57.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.298 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 12.8 mtp85 -55.96 -43.44 77.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.456 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -54.95 -58.5 7.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 342' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -63.61 -34.34 77.6 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.854 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -63.71 -43.14 97.44 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.539 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -68.28 -47.97 66.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -52.05 -54.69 27.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.31 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.57 179.903 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.805 0.336 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -79.5 92.83 5.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.618 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.1 mt -97.41 45.14 1.04 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.464 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.3 m -82.76 15.59 2.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -171.24 82.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.929 0.395 . . . . 0.0 110.757 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -131.17 161.4 32.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.225 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.5 mttm -108.5 168.51 9.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.777 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.469 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 16.8 t80 -65.79 -47.16 76.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.52 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.81 -34.63 76.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.677 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.41 ' O ' ' OG1' ' A' ' 26' ' ' THR . 95.4 mt-10 -68.96 -55.01 12.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.652 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.8 mt -57.86 -55.7 31.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.585 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.656 ' NH2' HH21 ' B' ' 142' ' ' ARG . 7.0 tpt85 -54.76 -49.55 70.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.431 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.531 ' OD2' ' CE2' ' C' ' 245' ' ' PHE . 3.9 t70 -57.9 -49.65 76.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.423 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.471 ' O ' ' CB ' ' A' ' 30' ' ' SER . 19.0 m -52.77 -43.51 65.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.662 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.428 HD12 HG22 ' A' ' 27' ' ' ILE . 96.4 mt -76.23 -23.6 15.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.677 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 1.9 m-80 -99.32 0.83 43.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.022 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 25' ' ' ASP . 75.9 p -133.46 -24.12 1.82 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.005 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 26' ' ' THR . 0.9 OUTLIER -103.43 157.96 16.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.891 0.377 . . . . 0.0 110.925 -179.751 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.55 ' SG ' ' CG ' ' B' ' 168' ' ' HIS . 29.0 t -129.5 29.47 5.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.355 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.1 m-20 -90.76 93.46 9.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.45 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 32' ' ' ASP . 3.0 mt -38.73 -40.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.783 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -57.47 -58.91 6.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.308 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.3 mt -58.72 -43.34 90.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.041 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 81.5 mt -52.71 -43.7 65.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.17 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.1 -49.07 68.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.325 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.85 94.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.415 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 85.0 m -61.6 -53.54 54.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.282 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.404 ' HB2' HH11 ' A' ' 40' ' ' ARG . 17.4 mtp-105 -53.62 -39.13 64.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.307 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -61.2 -60.26 4.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.667 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -62.79 -36.23 82.43 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.485 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -59.5 -41.2 89.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.428 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -72.91 -55.04 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.535 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -45.86 -45.72 15.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.591 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -52.39 -33.2 42.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.42 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.4 mt -86.78 -33.82 19.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.482 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -80.36 -72.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.624 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 50' ' ' TYR . 6.3 m -90.91 177.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.574 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' VAL . 95.0 m-85 37.38 65.0 0.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 6.2 p-80 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.007 -0.996 . . . . 0.0 110.503 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.513 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -90.44 120.04 31.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.577 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 21.6 pt -106.91 148.87 10.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.626 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -102.09 146.06 28.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.546 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 31.6 t -129.98 106.71 13.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.185 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . 0.515 ' NZ ' ' OG1' ' B' ' 112' ' ' THR . 34.7 mttm -95.49 131.39 41.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.64 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 21.7 p -95.81 -150.07 0.32 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.42 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.608 ' CD2' ' H ' ' B' ' 108' ' ' LEU . 0.4 OUTLIER -85.6 -46.1 11.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.439 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 50.3 p -70.51 11.99 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.547 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . 0.511 ' H ' ' C ' ' B' ' 108' ' ' LEU . . . 73.97 12.74 81.21 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.516 ' NZ ' ' OE2' ' B' ' 134' ' ' GLU . 80.3 tttt -72.67 119.25 16.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.762 0.315 . . . . 0.0 110.551 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' THR . . . . . 0.515 ' OG1' ' NZ ' ' B' ' 106' ' ' LYS . 8.8 m -99.39 142.77 30.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.481 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 1.3 mt -133.09 124.69 50.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.541 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 6.4 m -94.15 125.13 38.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.254 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 27.3 mt -130.44 130.62 44.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.855 0.36 . . . . 0.0 110.861 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -77.31 121.4 23.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.119 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' B' ' 101' ' ' MET . 11.0 m -146.82 -175.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.916 -179.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.501 ' C ' ' H ' ' B' ' 120' ' ' SER . 23.9 mm-40 -142.83 150.48 53.55 Favored Pre-proline 0 CA--C 1.53 0.204 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.178 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -46.71 -9.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.73 2.287 . . . . 0.0 112.47 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 120' ' ' SER . . . . . 0.501 ' H ' ' C ' ' B' ' 118' ' ' GLU . 2.2 p -96.88 -30.83 12.91 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.972 -0.291 . . . . 0.0 110.929 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . 0.479 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 2.4 m-20 -43.85 139.45 2.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.995 0.426 . . . . 0.0 110.822 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 67.6 p -87.86 138.31 31.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.516 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . 0.421 HD13 HG21 ' B' ' 123' ' ' ILE . 22.3 mm -46.48 -44.78 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.378 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -56.42 -38.19 71.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.392 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.463 ' C ' HD21 ' B' ' 125' ' ' ASN . 0.2 OUTLIER -64.01 -41.35 97.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.05 179.554 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 46.2 t -62.23 -44.02 98.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.943 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . 0.528 ' NZ ' ' O ' ' B' ' 141' ' ' GLN . 55.4 mttm -56.77 -40.74 76.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.058 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.37 98.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.29 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -58.13 -50.39 73.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.377 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 67.0 mt -57.05 -49.01 80.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.391 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . 0.556 ' N ' HE22 ' B' ' 141' ' ' GLN . 1.0 OUTLIER -53.11 -30.72 38.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.343 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -71.05 -42.0 70.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.437 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -69.53 -64.08 0.95 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.24 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . 0.516 ' OE2' ' NZ ' ' B' ' 111' ' ' LYS . 57.9 mm-40 -77.11 -89.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.562 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 161.41 5.01 0.05 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.532 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 37.6 mt -74.87 128.09 85.84 Favored Pre-proline 0 C--N 1.33 -0.28 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -56.04 150.15 49.06 Favored 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 121.666 1.577 . . . . 0.0 111.67 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -50.11 -39.37 51.27 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.336 2.024 . . . . 0.0 111.966 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . 0.434 ' C ' ' H ' ' B' ' 141' ' ' GLN . 5.0 m-20 -66.88 -44.65 80.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -79.15 31.36 0.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . 0.556 HE22 ' N ' ' B' ' 131' ' ' GLN . 66.7 mt-30 -129.78 82.98 2.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.499 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . 0.656 HH21 ' NH2' ' A' ' 24' ' ' ARG . 31.5 ttm-85 -90.05 113.86 25.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.588 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 19.1 mt -94.54 131.37 40.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.526 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.5 mt -124.88 142.75 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.528 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -164.85 148.39 8.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.736 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 61.58 20.17 11.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.022 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 75.48 27.62 63.11 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -146.62 148.89 32.55 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.837 0.351 . . . . 0.0 110.629 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -82.74 131.3 35.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.314 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 16.8 mt -79.23 136.89 37.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.38 . . . . 0.0 110.801 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -82.05 162.84 22.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.56 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.39 -41.9 15.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -83.2 41.14 2.88 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -139.67 179.98 6.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.765 0.317 . . . . 0.0 110.382 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 155' ' ' THR . . . . . 0.426 ' OG1' ' OD1' ' B' ' 158' ' ' ASP . 67.5 p -119.97 168.42 11.17 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.722 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.05 -40.15 94.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.707 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 157' ' ' SER . . . . . 0.539 ' C ' ' H ' ' B' ' 159' ' ' TYR . 5.7 t -58.38 -42.1 86.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.784 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . 0.426 ' OD1' ' OG1' ' B' ' 155' ' ' THR . 0.9 OUTLIER -54.85 -5.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.752 -179.738 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . 0.539 ' H ' ' C ' ' B' ' 157' ' ' SER . 69.6 m-85 -125.24 20.42 8.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.576 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 46.56 31.44 1.35 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.734 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 90.8 mt -79.81 102.09 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.426 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -79.32 -157.38 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.767 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -85.5 156.62 20.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.788 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 56.77 33.76 23.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.707 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 60.7 m -84.2 135.52 34.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.584 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 4.4 m -89.43 105.07 17.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.521 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.1 mt -92.34 129.37 38.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.712 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 168' ' ' HIS . . . . . 0.709 ' H ' ' HD1' ' B' ' 168' ' ' HIS . 0.2 OUTLIER -85.69 101.8 13.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.269 179.754 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 62.8 tp -81.93 141.77 33.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.654 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.3 t -144.27 158.59 15.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.384 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 7.4 mp -100.1 105.89 17.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.454 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . 0.655 ' NH1' HH21 ' A' ' 24' ' ' ARG . 14.8 ttt85 -53.39 120.71 6.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.644 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 28.3 mt -99.31 101.07 12.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.478 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 72.1 mmt-85 51.05 -165.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.513 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 161.97 48.87 0.02 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.655 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 201' ' ' MET . . . . . . . . . . . . . 1.6 ptt? . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -94.13 126.97 39.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.545 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 19.4 pt -116.23 149.85 18.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.647 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -98.64 140.66 32.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.687 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 87.8 t -129.22 109.27 18.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.41 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -94.7 133.13 38.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.651 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 207' ' ' THR . . . . . 0.432 ' HG1' ' H ' ' C' ' 211' ' ' LYS . 63.5 p -87.47 -154.62 0.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.314 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 208' ' ' LEU . . . . . 0.611 ' CD2' ' H ' ' C' ' 208' ' ' LEU . 0.5 OUTLIER -84.96 -37.01 20.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.432 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 5.2 p -78.73 -4.66 50.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.534 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 93.85 21.92 27.12 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 211' ' ' LYS . . . . . 0.432 ' H ' ' HG1' ' C' ' 207' ' ' THR . 51.1 tttp -81.22 111.77 17.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 110.492 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 19.8 m -90.09 141.99 28.15 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.722 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 2.8 mt -136.76 126.8 39.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.531 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 29.1 m -92.31 111.16 22.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.187 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 20.7 mt -115.61 132.79 56.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.963 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -80.4 123.22 27.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.155 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 217' ' ' VAL . . . . . . . . . . . . . 12.2 m -147.05 169.14 4.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.944 0.402 . . . . 0.0 110.901 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 218' ' ' GLU . . . . . 0.566 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 18.3 mp0 -124.7 149.4 62.19 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.08 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.39 -24.81 4.34 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.475 2.117 . . . . 0.0 112.374 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 220' ' ' SER . . . . . 0.42 ' H ' ' HG ' ' C' ' 220' ' ' SER . 1.6 p -92.45 10.46 29.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.062 -179.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 221' ' ' ASP . . . . . 0.566 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 39.3 m-20 -82.59 135.96 34.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.348 . . . . 0.0 110.299 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 222' ' ' THR . . . . . 0.404 ' O ' ' N ' ' C' ' 225' ' ' ASN . 10.8 p -83.63 136.3 34.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 223' ' ' ILE . . . . . 0.438 HD13 HG23 ' C' ' 223' ' ' ILE . 27.2 mm -45.16 -45.36 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.277 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -55.71 -36.24 66.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.152 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 225' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' C' ' 222' ' ' THR . 9.6 t-20 -65.3 -40.18 93.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.98 179.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 12.0 t -63.87 -54.44 31.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.003 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -48.18 -41.04 25.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.204 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -61.39 -46.0 92.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.29 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -56.16 -40.7 74.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.295 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 4.9 mt -64.27 -48.34 85.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.211 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -53.31 -28.61 29.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.247 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -78.51 -30.28 47.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.614 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -81.18 -66.71 0.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.59 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -80.66 -108.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.624 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -173.92 14.99 0.04 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 236' ' ' ILE . . . . . . . . . . . . . 45.4 mt -85.49 115.27 60.75 Favored Pre-proline 0 C--N 1.33 -0.282 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -62.79 149.69 90.54 Favored 'Trans proline' 0 C--N 1.314 -1.258 0 C-N-CA 121.57 1.514 . . . . 0.0 111.595 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 238' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.6 Cg_endo -48.29 -59.71 1.14 Allowed 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 122.362 2.041 . . . . 0.0 111.907 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -44.45 -21.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.61 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 240' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' C' ' 238' ' ' PRO . 77.0 mt-30 -109.08 38.03 2.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.627 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 241' ' ' GLN . . . . . 0.559 ' O ' ' NE ' ' C' ' 272' ' ' ARG . 69.7 mt-30 -134.65 159.43 41.26 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.489 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 242' ' ' ARG . . . . . 0.456 ' NH2' ' OD1' ' D' ' 328' ' ' ASN . 25.1 ttm180 -170.31 110.3 0.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.279 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 18.5 mt -89.21 131.54 35.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.184 0.516 . . . . 0.0 110.939 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 2.0 mt -129.64 122.85 56.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.068 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 245' ' ' PHE . . . . . 0.531 ' CE2' ' OD2' ' A' ' 25' ' ' ASP . 26.7 t80 -107.23 82.55 1.69 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.998 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 51.33 80.17 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 247' ' ' GLY . . . . . 0.618 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 60.39 43.28 98.85 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -151.0 94.56 2.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.758 0.313 . . . . 0.0 110.7 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -74.59 119.04 18.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.112 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 10.8 mt -82.39 135.44 35.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.864 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -80.53 161.6 24.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.534 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.67 -20.22 40.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.001 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -105.59 39.78 2.73 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -139.49 175.42 9.58 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 255' ' ' THR . . . . . 0.419 ' OG1' ' OD1' ' C' ' 258' ' ' ASP . 24.5 p -114.49 165.32 12.87 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.886 0.374 . . . . 0.0 110.659 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.42 -48.46 81.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.697 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 257' ' ' SER . . . . . 0.529 ' C ' ' H ' ' C' ' 259' ' ' TYR . 11.5 p -53.19 -38.62 62.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.841 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 258' ' ' ASP . . . . . 0.419 ' OD1' ' OG1' ' C' ' 255' ' ' THR . 10.4 m-20 -54.81 -5.09 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.851 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 259' ' ' TYR . . . . . 0.529 ' H ' ' C ' ' C' ' 257' ' ' SER . 75.0 m-85 -129.45 22.58 5.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.611 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 48.9 29.04 2.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.796 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 92.1 mt -80.02 98.92 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.451 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -81.05 -157.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.732 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.16 161.22 22.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.728 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 55.54 33.93 22.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.691 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 39.7 m -87.84 131.23 34.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.58 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 24.1 m -90.74 117.72 29.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.583 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 10.7 mt -111.99 153.26 27.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.431 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 268' ' ' HIS . . . . . . . . . . . . . 59.3 m80 -109.59 120.3 42.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.844 0.354 . . . . 0.0 110.251 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 269' ' ' LEU . . . . . 0.436 ' C ' ' CD2' ' C' ' 269' ' ' LEU . 6.0 tt -93.0 123.39 36.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 -179.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 1.6 t -127.02 136.16 61.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.209 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 271' ' ' LEU . . . . . 0.506 ' CD1' ' N ' ' C' ' 271' ' ' LEU . 7.4 mp -78.35 134.01 37.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.769 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 272' ' ' ARG . . . . . 0.559 ' NE ' ' O ' ' C' ' 241' ' ' GLN . 13.6 mtt180 -73.16 140.17 46.85 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.307 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 273' ' ' LEU . . . . . 0.508 ' CD2' ' HE2' ' D' ' 344' ' ' HIS . 19.3 mt -116.06 60.59 0.72 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.531 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 23.3 ptt85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.593 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.75 0.309 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 314' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' D' ' 314' ' ' ASP . 31.6 p30 -79.92 92.88 5.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.542 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 17.4 mt -98.14 39.36 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.513 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 7.2 t -80.91 6.29 13.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.668 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -147.45 72.33 1.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.657 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 11.1 m95 -132.14 165.74 23.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.395 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -109.31 158.22 18.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.43 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -56.37 -52.58 64.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.522 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -61.1 -44.73 96.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -53.46 -51.59 62.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.656 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.0 -57.62 12.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.468 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 324' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -53.5 -53.02 57.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.642 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 325' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' D' ' 329' ' ' THR . 17.8 m-20 -56.31 -49.45 74.26 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.573 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 326' ' ' THR . . . . . 0.53 ' O ' ' N ' ' D' ' 330' ' ' SER . 64.1 m -50.94 -45.19 60.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.61 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 327' ' ' ILE . . . . . 0.44 HD11 HG21 ' D' ' 327' ' ' ILE . 95.1 mt -68.31 -33.99 63.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.61 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 328' ' ' ASN . . . . . 0.456 ' OD1' ' NH2' ' C' ' 242' ' ' ARG . 12.2 m-80 -92.91 1.45 57.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.915 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.509 ' N ' ' O ' ' D' ' 325' ' ' ASP . 73.6 p -129.81 -10.59 4.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.869 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 330' ' ' SER . . . . . 0.53 ' N ' ' O ' ' D' ' 326' ' ' THR . 3.0 t -118.7 170.04 9.31 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.967 0.413 . . . . 0.0 110.97 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 331' ' ' CYS . . . . . 0.618 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 38.4 t -139.88 24.41 2.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.406 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -87.23 97.36 10.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.344 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 1.6 mt -38.71 -45.94 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.894 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -54.68 -58.84 5.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.425 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 335' ' ' LEU . . . . . 0.492 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 10.7 mt -56.43 -39.92 73.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.14 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 96.8 mt -59.92 -42.62 94.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.472 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -68.99 -49.21 59.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.359 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.95 99.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.445 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 339' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 81.6 m -60.33 -53.7 54.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.089 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 12.3 mtp85 -55.12 -42.03 72.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.194 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -56.4 -56.9 15.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.832 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 342' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -68.28 -38.52 81.79 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.678 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -58.24 -33.21 69.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.542 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 344' ' ' HIS . . . . . 0.508 ' HE2' ' CD2' ' C' ' 273' ' ' LEU . 10.0 m-70 -85.99 -52.55 5.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.249 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -48.24 -34.0 9.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.155 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 70.8 mtt-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.616 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.801 0.334 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 4.4 p-10 -83.63 92.78 7.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.53 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.1 mt -98.28 45.11 1.02 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.497 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 82.7 p -84.47 16.02 3.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.722 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.2 pttm -169.55 84.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.935 0.398 . . . . 0.0 110.654 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -134.8 170.78 15.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.264 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -115.87 163.95 15.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.644 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -64.24 -49.72 70.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.483 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.66 -36.68 81.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.609 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -64.99 -56.64 11.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.503 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.2 mt -55.87 -56.76 16.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.459 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.509 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 5.2 tpt180 -52.95 -40.71 63.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.44 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.44 ' O ' ' OG1' ' A' ' 29' ' ' THR . 14.3 m-20 -64.89 -48.37 74.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.389 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.526 ' O ' ' N ' ' A' ' 30' ' ' SER . 7.8 m -54.08 -43.78 70.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.639 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.492 ' CD1' ' SG ' ' A' ' 39' ' ' CYS . 96.7 mt -76.05 -27.07 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.73 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.708 HD22 HH22 ' B' ' 142' ' ' ARG . 0.9 OUTLIER -90.66 -5.23 56.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.091 -179.624 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 75.2 p -129.66 -43.77 1.24 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.04 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.5 OUTLIER -78.69 149.21 32.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.957 0.408 . . . . 0.0 111.093 -179.483 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.542 ' SG ' ' CG ' ' B' ' 168' ' ' HIS . 21.5 t -122.72 30.32 6.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.255 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' ILE . 16.5 m-20 -93.47 93.52 8.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.445 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' ASP . 2.2 mt -38.46 -41.04 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.953 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -57.48 -59.0 5.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.374 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.9 mt -58.43 -38.52 77.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.146 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 65.6 mt -58.91 -43.98 91.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.104 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.17 -48.65 77.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.189 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.407 ' O ' ' HG2' ' A' ' 41' ' ' GLU . . . -65.75 -41.2 92.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.251 179.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.492 ' SG ' ' CD1' ' A' ' 27' ' ' ILE . 46.5 t -64.02 -45.11 90.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.057 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.8 mtp85 -64.77 -42.72 94.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.244 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 42' ' ' GLU . 2.2 pt-20 -62.97 -45.1 94.04 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.918 -178.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 41' ' ' GLU . 2.8 pt-20 -67.63 -36.3 80.52 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.085 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -60.99 -44.99 96.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.285 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -66.38 -51.54 56.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.269 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -46.91 -55.4 8.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.243 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 mtp85 -46.12 -41.36 12.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.503 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.96 -36.14 69.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.459 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -71.8 -73.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.544 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.8 m -96.09 176.43 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.511 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -85.32 32.16 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.568 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.529 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.517 ' N ' ' O ' ' B' ' 117' ' ' VAL . 27.7 ttp . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -68.97 130.42 42.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.553 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 5.0 pt -131.55 142.97 41.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.557 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -93.01 127.72 38.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.576 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 82.2 t -114.22 106.96 21.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.363 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -79.49 120.79 24.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.387 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 69.1 p -88.32 -162.33 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.606 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.743 ' CD2' ' H ' ' B' ' 108' ' ' LEU . 0.0 OUTLIER -77.68 -59.48 2.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.178 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 50.8 p -57.7 -2.99 0.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.56 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . 0.535 ' H ' ' C ' ' B' ' 108' ' ' LEU . . . 91.73 7.47 64.66 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -70.48 115.21 9.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 0.0 110.456 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.9 m -92.12 110.6 21.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.615 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 6.7 mt -96.83 148.74 5.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.635 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 17.4 m -107.59 98.31 7.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.471 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' B' ' 115' ' ' LEU . 3.7 mm? -92.77 129.82 38.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.854 0.359 . . . . 0.0 110.777 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -90.21 116.72 28.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.893 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' B' ' 101' ' ' MET . 12.6 m -146.81 -161.68 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.053 0.454 . . . . 0.0 111.113 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.529 ' N ' ' OD2' ' B' ' 121' ' ' ASP . 44.5 mt-10 -150.13 152.42 33.68 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.718 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.22 -43.51 20.98 Favored 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.721 2.281 . . . . 0.0 112.853 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.49 17.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.53 -179.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' B' ' 118' ' ' GLU . 5.1 m-20 -92.43 138.3 31.63 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.349 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 6.5 p -81.97 138.51 34.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.965 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . 0.42 HG23 HD13 ' B' ' 123' ' ' ILE . 22.0 mm -47.86 -52.47 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.198 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -46.68 -42.9 17.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.263 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.49 ' OD1' ' NZ ' ' B' ' 129' ' ' LYS . 37.1 t-20 -61.13 -39.84 91.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.06 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 21.7 t -62.6 -48.46 88.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.152 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . 0.425 ' HA ' HE22 ' B' ' 141' ' ' GLN . 86.8 mttt -53.67 -38.24 63.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.287 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.96 -40.15 94.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.37 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.49 ' NZ ' ' OD1' ' B' ' 125' ' ' ASN . 60.7 mttp -61.39 -44.19 97.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.303 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 9.2 mt -62.54 -51.82 67.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.297 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . 0.436 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.7 OUTLIER -51.19 -32.67 24.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.43 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -74.35 -26.51 60.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.424 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt -81.08 -63.95 1.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.415 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -85.57 -109.23 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.634 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -169.41 16.93 0.06 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 68.1 mt -83.86 114.72 55.83 Favored Pre-proline 0 CA--C 1.532 0.279 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -64.35 147.77 90.84 Favored 'Trans proline' 0 C--N 1.315 -1.193 0 C-N-CA 121.512 1.474 . . . . 0.0 111.525 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.488 ' O ' ' N ' ' B' ' 140' ' ' GLN . 2.6 Cg_endo -48.1 -62.59 0.41 Allowed 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 122.344 2.029 . . . . 0.0 111.85 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -39.98 -24.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.811 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' B' ' 138' ' ' PRO . 12.2 mm100 -105.83 43.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.551 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' B' ' 138' ' ' PRO . 9.0 mt-30 -134.34 155.14 50.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.618 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . 0.708 HH22 HD22 ' A' ' 28' ' ' ASN . 11.4 ttm180 -170.39 102.06 0.27 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.058 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.3 mt -84.16 133.36 34.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.006 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.7 mt -127.52 142.17 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.069 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -146.72 104.24 3.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.762 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 65.74 69.88 0.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.842 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 41.31 46.78 4.43 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -150.8 120.73 7.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.34 . . . . 0.0 110.568 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -83.33 126.45 32.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.327 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 12.9 mt -81.04 126.59 31.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.727 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . 0.673 ' H ' ' HH ' ' B' ' 159' ' ' TYR . 39.9 mt-10 -68.95 161.97 27.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.544 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.33 -33.3 23.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.971 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -89.98 41.87 2.97 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -139.64 176.35 8.8 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 43.8 p -116.72 163.66 15.8 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.723 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 64.5 mt -60.6 -37.5 81.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.533 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 157' ' ' SER . . . . . 0.528 ' C ' ' H ' ' B' ' 159' ' ' TYR . 10.4 t -61.51 -32.4 72.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.736 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -71.71 14.95 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.715 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . 0.673 ' HH ' ' H ' ' B' ' 151' ' ' GLU . 55.5 m-85 -140.64 6.62 2.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.53 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 59.75 28.73 18.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.631 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 97.0 mt -80.95 98.95 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.473 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -79.77 -157.56 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.618 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 31.9 ptt-85 -83.87 158.29 21.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.704 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 56.65 31.92 20.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.767 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 46.9 m -84.91 136.49 33.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.66 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 10.6 m -90.93 103.41 16.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.498 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 10.2 mt -95.92 121.2 37.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.639 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 168' ' ' HIS . . . . . 0.765 ' H ' ' HD1' ' B' ' 168' ' ' HIS . 0.2 OUTLIER -77.81 97.01 5.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.27 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 43.6 tp -81.35 132.66 35.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.734 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 3.0 t -130.51 161.59 40.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.24 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . 0.471 ' N ' ' CD1' ' B' ' 171' ' ' LEU . 6.9 mp -97.85 110.17 22.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.498 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -65.68 103.19 0.83 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.497 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 13.9 mt -77.66 167.78 21.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.622 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -80.31 162.73 24.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.473 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . -170.92 -163.17 24.51 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.985 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 201' ' ' MET . . . . . 0.525 ' N ' ' O ' ' C' ' 217' ' ' VAL . 31.4 ttp . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -89.01 110.72 21.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.779 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 18.7 pt -107.95 147.09 13.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.339 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -98.44 135.49 39.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.798 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 59.0 t -124.0 110.52 25.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.057 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 206' ' ' LYS . . . . . 0.511 ' NZ ' ' OG1' ' C' ' 212' ' ' THR . 39.3 mttm -95.55 137.2 34.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.971 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 69.6 p -89.71 -160.7 0.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.146 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 208' ' ' LEU . . . . . 0.603 ' N ' ' CD1' ' C' ' 208' ' ' LEU . 1.6 mp -100.98 23.2 11.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 110.571 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 2.2 p -136.57 0.22 2.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.41 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 92.51 29.57 10.85 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -103.2 110.77 22.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.807 0.337 . . . . 0.0 110.567 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 212' ' ' THR . . . . . 0.511 ' OG1' ' NZ ' ' C' ' 206' ' ' LYS . 10.2 m -93.79 146.98 23.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.627 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 2.6 mt -138.16 127.25 32.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.906 0.384 . . . . 0.0 110.663 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 8.6 m -92.35 115.7 28.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.309 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 17.3 mt -117.16 123.28 46.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.89 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -81.5 121.43 26.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.078 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 217' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' C' ' 201' ' ' MET . 29.2 m -149.0 -165.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.99 0.424 . . . . 0.0 111.008 -179.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 218' ' ' GLU . . . . . 0.504 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 2.8 mt-10 -142.39 148.52 47.75 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.751 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.92 -25.24 2.6 Favored 'Trans proline' 0 C--N 1.31 -1.499 0 C-N-CA 122.412 2.074 . . . . 0.0 112.364 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.9 p -80.49 -28.97 37.39 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.954 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 221' ' ' ASP . . . . . 0.504 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 0.9 OUTLIER -44.85 137.77 3.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.39 . . . . 0.0 110.664 -179.714 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 222' ' ' THR . . . . . 0.403 ' O ' ' N ' ' C' ' 225' ' ' ASN . 19.9 p -87.9 138.14 31.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.509 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 223' ' ' ILE . . . . . 0.425 HD11 HG22 ' C' ' 223' ' ' ILE . 18.6 mm -42.15 -52.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.59 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -51.42 -36.25 42.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.568 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 225' ' ' ASN . . . . . 0.655 ' ND2' ' HZ2' ' C' ' 229' ' ' LYS . 0.1 OUTLIER -65.3 -41.22 94.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.863 0.363 . . . . 0.0 110.067 179.572 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 41.3 t -62.87 -45.15 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.979 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -55.62 -41.99 74.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.016 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.93 91.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.236 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 229' ' ' LYS . . . . . 0.655 ' HZ2' ' ND2' ' C' ' 225' ' ' ASN . 44.6 mttp -55.95 -46.59 78.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.247 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 41.9 mt -59.59 -40.02 80.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.293 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -59.06 -35.1 72.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.157 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.55 -24.96 61.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.481 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 19.7 mmtm -82.09 -62.26 1.68 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.593 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -88.31 -106.3 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.565 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -173.03 11.78 0.04 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.831 -0.907 . . . . 0.0 110.831 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 236' ' ' ILE . . . . . 0.486 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 17.6 mt -84.39 115.63 61.3 Favored Pre-proline 0 C--N 1.329 -0.295 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.01 151.2 79.97 Favored 'Trans proline' 0 C--N 1.314 -1.243 0 C-N-CA 121.504 1.469 . . . . 0.0 111.679 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 238' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.8 Cg_endo -48.49 -62.33 0.45 Allowed 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.404 2.069 . . . . 0.0 111.919 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -43.51 -20.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.633 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 240' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' C' ' 238' ' ' PRO . 81.6 mt-30 -106.54 33.14 4.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.522 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 241' ' ' GLN . . . . . 0.508 ' N ' ' O ' ' C' ' 238' ' ' PRO . 70.6 mt-30 -134.36 145.29 48.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.675 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 242' ' ' ARG . . . . . 0.71 HH21 ' HE ' ' C' ' 272' ' ' ARG . 40.2 ttm-85 -155.81 117.63 4.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.131 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 12.5 mt -96.54 136.33 37.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.153 0.502 . . . . 0.0 111.275 -179.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 2.1 mt -129.84 120.86 50.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.898 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 245' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -106.85 75.25 1.04 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.886 0.374 . . . . 0.0 111.055 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 54.05 88.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 247' ' ' GLY . . . . . 0.628 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 56.33 40.97 86.65 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -150.32 91.8 1.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.773 0.32 . . . . 0.0 110.544 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 249' ' ' GLN . . . . . 0.471 ' CD ' ' NH1' ' C' ' 242' ' ' ARG . 8.2 tt0 -75.01 112.24 11.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.98 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 9.7 mt -73.32 130.36 40.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.93 0.395 . . . . 0.0 110.834 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -80.44 158.75 25.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.421 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.44 -0.96 43.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.872 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -123.04 36.71 3.0 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.61 -177.82 4.79 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 255' ' ' THR . . . . . 0.51 ' C ' ' H ' ' C' ' 257' ' ' SER . 33.4 p -122.06 158.83 28.36 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.886 0.374 . . . . 0.0 110.601 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.67 -1.09 0.34 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.644 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 257' ' ' SER . . . . . 0.523 ' C ' ' H ' ' C' ' 259' ' ' TYR . 93.8 p -96.47 -30.3 13.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.686 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 258' ' ' ASP . . . . . 0.423 ' OD1' ' OG1' ' C' ' 255' ' ' THR . 0.9 OUTLIER -69.81 12.97 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.647 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 259' ' ' TYR . . . . . 0.523 ' H ' ' C ' ' C' ' 257' ' ' SER . 74.7 m-85 -140.82 -0.61 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.552 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 260' ' ' ASN . . . . . 0.432 ' O ' ' OE1' ' C' ' 262' ' ' GLN . 9.0 t-20 60.82 54.18 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.633 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 96.7 mt -98.22 105.34 17.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.417 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 262' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' C' ' 260' ' ' ASN . 2.4 mp0 -84.09 -168.04 1.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.818 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -73.29 160.28 32.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.794 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 51.7 31.7 8.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.76 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 38.2 m -86.0 131.75 34.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.583 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 12.2 m -85.33 129.36 34.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.55 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 10.4 mt -123.84 132.56 53.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.582 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 268' ' ' HIS . . . . . 0.79 ' N ' ' HD1' ' C' ' 268' ' ' HIS . 0.1 OUTLIER -85.17 111.7 20.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.097 179.831 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 269' ' ' LEU . . . . . 0.401 HD13 ' H ' ' C' ' 270' ' ' VAL . 45.5 tp -88.33 133.64 34.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.63 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 270' ' ' VAL . . . . . 0.401 ' H ' HD13 ' C' ' 269' ' ' LEU . 2.0 t -133.26 140.33 47.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.376 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 271' ' ' LEU . . . . . 0.557 ' CD1' ' N ' ' C' ' 271' ' ' LEU . 6.7 mp -82.64 100.57 10.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.522 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 272' ' ' ARG . . . . . 0.71 ' HE ' HH21 ' C' ' 242' ' ' ARG . 17.2 ttt-85 -55.56 110.16 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.6 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 273' ' ' LEU . . . . . . . . . . . . . 43.3 mt -74.06 94.08 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.576 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 274' ' ' ARG . . . . . 0.477 HH11 ' NH1' ' C' ' 272' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.383 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.753 0.311 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.92 92.95 5.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.493 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 10.6 mt -91.45 43.29 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.492 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 72.3 m -83.61 18.45 1.9 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.769 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -172.68 83.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 110.69 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -132.82 170.98 14.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.309 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -119.64 166.19 13.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.724 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 320' ' ' TYR . . . . . 0.477 ' C ' ' CD1' ' D' ' 320' ' ' TYR . 10.5 t80 -60.5 -48.82 80.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.558 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -59.66 -48.7 80.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.798 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 322' ' ' GLU . . . . . 0.434 ' O ' ' OG1' ' D' ' 326' ' ' THR . 60.4 mm-40 -55.19 -57.56 11.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 15.4 mt -56.81 -55.67 31.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.743 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 324' ' ' ARG . . . . . 0.646 ' NH1' HD22 ' D' ' 328' ' ' ASN . 7.4 tpt85 -52.99 -47.76 67.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.552 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 325' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' D' ' 329' ' ' THR . 1.0 OUTLIER -63.36 -47.42 82.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.327 179.902 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 326' ' ' THR . . . . . 0.507 ' O ' ' N ' ' D' ' 330' ' ' SER . 21.7 m -53.49 -45.3 69.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.596 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 95.8 mt -75.65 -25.43 17.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.733 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 328' ' ' ASN . . . . . 0.646 HD22 ' NH1' ' D' ' 324' ' ' ARG . 0.9 OUTLIER -95.16 -1.5 51.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.064 -179.648 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.464 ' N ' ' O ' ' D' ' 325' ' ' ASP . 62.6 p -135.15 -43.05 0.72 Allowed 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 121.002 -0.279 . . . . 0.0 111.245 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 330' ' ' SER . . . . . 0.507 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.4 OUTLIER -75.4 163.44 27.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.017 0.437 . . . . 0.0 111.218 -179.289 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 331' ' ' CYS . . . . . 0.628 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 27.6 p -140.86 88.49 2.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.468 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -160.14 98.88 1.33 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.342 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 2.1 mt -38.82 -43.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.884 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -54.79 -58.93 5.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.346 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 335' ' ' LEU . . . . . 0.492 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 7.3 mt -60.43 -51.09 70.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.115 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 45.1 mt -50.42 -45.79 55.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.52 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.37 -48.72 80.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.303 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 338' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' D' ' 341' ' ' GLU . . . -68.03 -32.36 72.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.475 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 339' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 76.7 m -65.31 -45.97 82.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.115 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 14.3 mtp-105 -67.81 -43.03 80.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.222 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 341' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' D' ' 342' ' ' GLU . 4.8 pt-20 -60.68 -45.85 92.61 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.798 -179.081 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 342' ' ' GLU . . . . . 0.466 ' N ' ' CG ' ' D' ' 341' ' ' GLU . 3.1 pt-20 -68.39 -39.05 81.84 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.232 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.82 -53.04 62.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.014 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -59.66 -52.34 65.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.343 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.67 -40.77 20.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.164 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.517 179.888 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 N--CA 1.461 0.081 0 CA-C-O 120.768 0.318 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -81.05 92.97 6.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.599 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.1 mt -89.24 42.58 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.459 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.8 p -79.74 17.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -171.82 82.31 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.908 0.385 . . . . 0.0 110.707 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -131.81 167.15 20.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.295 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.53 166.91 12.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.684 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.507 ' OH ' ' N ' ' B' ' 176' ' ' GLY . 8.9 t80 -62.31 -48.06 81.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.561 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.74 -36.84 79.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.728 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.42 ' O ' ' OG1' ' A' ' 26' ' ' THR . 71.4 mm-40 -68.23 -54.54 16.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.802 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.5 mt -57.96 -57.61 12.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.606 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.664 ' NH1' HD22 ' A' ' 28' ' ' ASN . 14.7 tpt85 -53.15 -53.52 49.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.371 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' A' ' 29' ' ' THR . 6.1 t70 -53.16 -51.25 62.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.299 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.571 ' O ' ' N ' ' A' ' 30' ' ' SER . 24.3 m -51.27 -53.18 38.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.612 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.414 HD12 HG23 ' A' ' 27' ' ' ILE . 88.3 mt -66.19 -20.01 26.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.64 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.664 HD22 ' NH1' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -103.59 -1.68 27.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.414 -179.488 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.537 ' N ' ' O ' ' A' ' 25' ' ' ASP . 41.7 p -139.82 -1.16 1.64 Allowed 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.861 -0.335 . . . . 0.0 111.133 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 26' ' ' THR . 3.1 t -115.93 168.94 9.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.009 0.433 . . . . 0.0 110.901 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.425 ' H ' ' HG ' ' A' ' 30' ' ' SER . 8.7 p -147.68 85.81 1.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.44 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -160.34 104.71 1.46 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.69 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.539 ' H ' ' CD1' ' A' ' 33' ' ' ILE . 1.1 mp -41.22 -42.56 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.56 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -56.45 -56.68 18.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.297 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.492 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 11.5 mt -63.25 -50.15 71.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.173 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.8 mt -52.05 -45.46 64.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.447 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.24 -49.31 70.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.815 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.7 -44.04 97.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.614 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 80.4 m -58.18 -53.55 57.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.468 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.6 mtp-105 -57.07 -41.37 78.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.417 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -55.91 -59.68 4.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -63.08 -36.08 82.41 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.806 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -58.3 -41.18 83.88 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.38 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -72.44 -51.59 19.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.385 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -45.9 -48.83 16.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.335 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.419 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 72.3 mtt-85 -52.73 -33.73 49.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.406 179.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.5 mt -81.45 -50.23 9.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.509 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 49' ' ' VAL . 69.8 tttt -53.7 -67.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.573 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.425 ' O ' ' O ' ' A' ' 48' ' ' LYS . 5.0 t 53.77 106.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.512 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.502 ' CD2' ' O ' ' A' ' 50' ' ' TYR . 11.6 p90 -78.43 90.5 4.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.516 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 16.3 p80 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.512 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.564 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . 0.423 ' CD ' ' CG2' ' B' ' 114' ' ' THR . 18.5 tt0 -95.93 140.67 30.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.121 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 3.8 pt -135.01 156.4 39.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.904 0.383 . . . . 0.0 110.812 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -111.11 127.32 55.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.395 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 86.9 t -113.59 110.44 32.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.397 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -95.56 133.74 39.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.768 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 21.7 p -92.59 -163.49 1.05 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.307 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.615 ' CD2' ' H ' ' B' ' 108' ' ' LEU . 0.5 OUTLIER -84.25 -23.43 30.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.343 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 5.6 p -83.93 2.35 39.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.468 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.27 12.56 80.49 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -82.15 122.86 28.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.751 0.31 . . . . 0.0 110.543 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.5 m -99.75 134.48 42.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.626 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 4.2 mt -122.97 129.58 75.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' THR . . . . . 0.423 ' CG2' ' CD ' ' B' ' 102' ' ' GLN . 8.4 m -88.52 101.44 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.348 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.447 ' CD2' ' N ' ' B' ' 115' ' ' LEU . 4.2 mm? -98.97 125.41 44.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.987 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -87.91 117.89 27.07 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . 0.564 ' O ' ' N ' ' B' ' 101' ' ' MET . 6.0 m -141.96 -158.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.334 0.588 . . . . 0.0 111.563 -178.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.524 ' N ' ' OD2' ' B' ' 121' ' ' ASP . 5.6 mt-10 -146.99 170.43 7.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.394 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -75.24 -16.58 19.61 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 122.385 2.057 . . . . 0.0 112.354 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.2 p -100.86 6.89 43.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.748 0.309 . . . . 0.0 110.739 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . 0.524 ' OD2' ' N ' ' B' ' 118' ' ' GLU . 45.1 m-20 -78.53 141.78 37.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.427 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 82.3 p -85.66 143.36 28.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 25.2 mm -51.74 -46.38 38.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.204 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' B' ' 125' ' ' ASN . 11.0 pt-20 -53.68 -40.32 65.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.294 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.518 ' OD1' ' NZ ' ' B' ' 129' ' ' LYS . 41.8 t-20 -63.17 -37.99 89.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.175 179.682 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 46.0 t -64.28 -49.91 78.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.158 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -53.04 -38.34 62.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.161 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.55 -41.32 96.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.371 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.518 ' NZ ' ' OD1' ' B' ' 125' ' ' ASN . 36.3 mttp -60.37 -43.35 96.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.346 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 9.6 mt -63.67 -42.87 97.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.285 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . 0.432 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.5 OUTLIER -60.64 -24.91 65.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.425 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -84.95 -19.74 31.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.689 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -89.83 -56.75 3.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.826 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -90.48 -106.21 0.09 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.757 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -172.97 22.67 0.07 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.526 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 15.8 mt -95.53 111.14 54.43 Favored Pre-proline 0 C--N 1.329 -0.292 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -63.2 153.35 74.67 Favored 'Trans proline' 0 C--N 1.314 -1.239 0 C-N-CA 121.518 1.479 . . . . 0.0 111.651 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.5 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -46.9 -65.0 0.2 Allowed 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.502 2.134 . . . . 0.0 111.859 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.33 -19.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.666 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' B' ' 138' ' ' PRO . 32.0 mm-40 -112.22 36.15 3.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.523 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 51.9 mt-30 -134.43 160.55 37.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.551 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -170.21 139.72 1.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.042 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 31.3 mt -120.29 137.85 54.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.989 0.423 . . . . 0.0 110.998 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . 0.413 ' O ' ' CG ' ' B' ' 168' ' ' HIS . 1.7 mt -129.34 123.29 57.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.055 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -141.57 146.47 36.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.428 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 62.21 21.53 12.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.618 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 73.72 30.01 62.47 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 65.5 mttt -146.44 143.47 29.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.796 0.331 . . . . 0.0 110.636 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -78.05 134.23 37.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.382 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 12.8 mt -85.33 136.68 33.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.751 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -80.53 160.31 25.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.469 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.75 -29.1 36.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.839 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -92.86 40.26 2.86 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 33.2 mmt-85 -139.64 178.72 7.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.751 0.31 . . . . 0.0 110.44 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 76.5 p -119.73 179.03 4.36 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.583 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 92.0 mt -80.46 -13.22 59.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.773 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 4.2 p -87.89 -14.38 39.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.586 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.33 -9.64 58.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.663 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -118.84 16.0 13.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.598 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 54.92 18.11 2.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.973 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 78.1 mt -65.76 91.38 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.287 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -74.38 -157.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.595 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -84.37 156.67 21.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.726 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 59.89 32.83 21.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.679 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 38.2 m -85.12 131.88 34.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.585 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 9.0 m -93.36 97.0 10.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.6 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . 0.401 ' C ' ' HD1' ' B' ' 168' ' ' HIS . 3.4 mp -88.6 154.75 20.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.621 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 168' ' ' HIS . . . . . 0.655 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -104.31 113.96 27.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.075 179.522 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 28.9 tp -90.85 124.2 34.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.565 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.0 t -127.24 138.4 54.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.165 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . 0.436 ' N ' ' CD1' ' B' ' 171' ' ' LEU . 8.4 mp -77.9 103.04 7.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.702 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . 0.425 ' O ' ' OE1' ' B' ' 140' ' ' GLN . 57.7 ttt180 -60.65 94.44 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.528 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.91 130.38 45.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.649 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 71.2 mtt-85 -78.56 148.14 33.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.571 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 153.48 -151.95 23.64 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 176' ' ' GLY . . . . . 0.507 ' N ' ' OH ' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.525 0.696 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 201' ' ' MET . . . . . 0.531 ' N ' ' O ' ' C' ' 217' ' ' VAL . 32.2 ttp . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 202' ' ' GLN . . . . . 0.522 ' OE1' ' N ' ' C' ' 202' ' ' GLN . 4.4 mp0 -76.08 144.7 40.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.435 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 14.9 pt -147.68 141.68 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.344 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -93.56 140.31 29.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.839 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 19.6 t -128.73 110.69 21.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.084 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 206' ' ' LYS . . . . . 0.541 ' HZ3' ' CD1' ' D' ' 333' ' ' ILE . 8.0 mtmp? -92.94 130.73 38.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.657 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 58.0 p -89.29 -158.46 0.51 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.435 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 208' ' ' LEU . . . . . 0.608 ' CD2' ' H ' ' C' ' 208' ' ' LEU . 0.6 OUTLIER -82.28 -33.63 29.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.3 179.882 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 9.4 p -82.3 -2.85 54.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.589 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 91.02 19.84 41.45 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -79.89 116.81 20.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.329 . . . . 0.0 110.553 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 6.4 m -94.43 137.69 33.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.601 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -130.03 128.48 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.54 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 55.0 m -94.18 98.45 10.96 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.343 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 11.0 mp -100.08 136.39 40.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.906 0.384 . . . . 0.0 110.819 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 216' ' ' GLU . . . . . 0.415 ' CD ' HE22 ' C' ' 202' ' ' GLN . 38.0 tt0 -91.78 121.25 33.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.103 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 217' ' ' VAL . . . . . 0.531 ' O ' ' N ' ' C' ' 201' ' ' MET . 34.0 m -145.01 -162.82 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.926 0.393 . . . . 0.0 110.904 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 218' ' ' GLU . . . . . 0.521 ' N ' ' OD2' ' C' ' 221' ' ' ASP . 5.5 mt-10 -140.06 171.16 8.26 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.725 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -73.44 -32.27 8.15 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 122.303 2.002 . . . . 0.0 112.031 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.64 1.13 35.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.446 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 221' ' ' ASP . . . . . 0.521 ' OD2' ' N ' ' C' ' 218' ' ' GLU . 30.5 m-20 -74.57 138.8 43.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.56 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 222' ' ' THR . . . . . 0.529 ' HG1' ' H ' ' C' ' 225' ' ' ASN . 11.9 p -87.02 139.7 30.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.838 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 223' ' ' ILE . . . . . 0.422 HD12 HG23 ' C' ' 223' ' ' ILE . 24.8 mm -46.8 -37.92 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.296 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -58.49 -45.28 89.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.357 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 225' ' ' ASN . . . . . 0.529 ' H ' ' HG1' ' C' ' 222' ' ' THR . 55.6 m-80 -61.07 -38.84 87.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.073 179.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 39.7 t -62.28 -44.79 99.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.098 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -57.63 -38.94 75.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.224 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.37 99.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.208 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -60.42 -47.44 86.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.238 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 60.8 mt -61.73 -29.58 46.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.336 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -67.64 -39.3 84.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.058 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -69.49 -25.42 64.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.358 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm -81.68 -60.41 2.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.553 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -88.48 -103.04 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.6 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 178.03 13.63 0.02 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 236' ' ' ILE . . . . . 0.513 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 48.8 mt -83.23 123.2 77.44 Favored Pre-proline 0 C--N 1.33 -0.266 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -58.14 146.65 87.28 Favored 'Trans proline' 0 C--N 1.313 -1.294 0 C-N-CA 121.536 1.49 . . . . 0.0 111.632 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 238' ' ' PRO . . . . . 0.536 ' C ' ' H ' ' C' ' 240' ' ' GLN . 2.7 Cg_endo -51.83 -45.33 39.11 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.3 2.0 . . . . 0.0 111.962 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 239' ' ' ASP . . . . . 0.501 ' N ' ' OD1' ' C' ' 239' ' ' ASP . 0.7 OUTLIER -69.12 13.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.754 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 240' ' ' GLN . . . . . 0.536 ' H ' ' C ' ' C' ' 238' ' ' PRO . 62.2 mt-30 -141.34 33.08 1.69 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.629 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 241' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 65.0 mt-30 -134.6 89.94 2.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.868 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 242' ' ' ARG . . . . . 0.513 ' NH2' ' OE1' ' C' ' 249' ' ' GLN . 33.5 ttm-85 -90.13 129.97 36.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.133 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 10.9 mt -109.66 126.86 54.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.048 0.451 . . . . 0.0 110.985 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.5 mt -122.51 127.0 74.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.085 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 245' ' ' PHE . . . . . 0.528 ' CE1' ' OD2' ' A' ' 25' ' ' ASP . 51.9 t80 -116.15 75.21 0.94 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.902 0.382 . . . . 0.0 111.095 -179.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 54.25 88.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.06 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 247' ' ' GLY . . . . . . . . . . . . . . . 55.65 39.37 75.38 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -150.82 90.76 1.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.491 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 249' ' ' GLN . . . . . 0.513 ' OE1' ' NH2' ' C' ' 242' ' ' ARG . 0.9 OUTLIER -74.47 96.16 2.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.965 179.667 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 250' ' ' LEU . . . . . 0.413 ' O ' ' OE1' ' C' ' 249' ' ' GLN . 9.4 mt -56.78 135.47 55.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.777 -179.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -91.34 161.27 15.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.334 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -24.06 51.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.756 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -100.09 41.21 2.22 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -139.63 176.99 8.26 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 42.3 p -119.62 159.83 23.65 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.872 0.368 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.55 -25.16 65.95 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.694 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 257' ' ' SER . . . . . 0.535 ' C ' ' H ' ' C' ' 259' ' ' TYR . 82.0 p -74.49 -30.6 61.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.768 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -71.5 15.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.693 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 259' ' ' TYR . . . . . 0.535 ' H ' ' C ' ' C' ' 257' ' ' SER . 69.4 m-85 -140.63 6.36 2.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.549 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 1.9 m120 60.53 26.84 16.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.645 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 84.9 mt -78.31 100.23 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.516 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -83.08 -157.28 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.65 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -82.53 161.86 22.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.671 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 51.29 29.06 4.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.583 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 34.5 m -88.97 135.66 33.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.61 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 4.3 m -80.43 150.71 29.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.496 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 7.5 mt -140.94 122.97 15.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.531 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 268' ' ' HIS . . . . . 0.772 ' HD1' ' H ' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -81.6 104.3 11.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.174 179.803 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 47.6 tp -87.66 133.63 33.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.959 0.409 . . . . 0.0 110.879 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 2.5 t -130.62 154.95 41.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.306 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 271' ' ' LEU . . . . . . . . . . . . . 6.2 mt -91.28 110.26 21.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.735 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -84.6 115.67 22.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.345 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 273' ' ' LEU . . . . . 0.671 ' CD1' HH12 ' D' ' 340' ' ' ARG . 0.3 OUTLIER -99.79 -175.76 3.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.45 -179.825 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.453 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 313' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' D' ' 313' ' ' TYR . 16.9 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.766 0.317 . . . . 0.0 110.491 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -78.79 92.77 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.566 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 13.5 mt -98.7 45.93 1.0 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.384 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 13.0 t -73.26 -20.54 60.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -156.55 101.74 2.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.84 0.352 . . . . 0.0 110.703 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -129.53 163.82 25.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.21 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -100.32 160.62 14.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.789 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 320' ' ' TYR . . . . . 0.473 ' C ' ' CD1' ' D' ' 320' ' ' TYR . 16.6 t80 -60.25 -50.03 75.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.588 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -63.62 -40.9 98.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -58.52 -50.75 72.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.67 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 14.7 mt -60.87 -55.63 30.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.39 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 324' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -57.14 -53.35 59.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.587 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 325' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' D' ' 329' ' ' THR . 28.7 t70 -52.51 -51.49 59.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.397 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 326' ' ' THR . . . . . 0.488 ' O ' ' N ' ' D' ' 330' ' ' SER . 56.5 m -54.06 -42.25 69.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.392 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 327' ' ' ILE . . . . . 0.571 ' CD1' ' NH2' ' D' ' 340' ' ' ARG . 86.4 mt -75.06 -23.06 17.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.502 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 328' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -100.34 0.49 40.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.665 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.485 ' N ' ' O ' ' D' ' 325' ' ' ASP . 73.2 p -132.76 -19.12 2.35 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.167 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 330' ' ' SER . . . . . 0.488 ' N ' ' O ' ' D' ' 326' ' ' THR . 1.5 t -106.04 172.79 6.61 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.124 0.488 . . . . 0.0 111.191 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 331' ' ' CYS . . . . . . . . . . . . . 4.9 m -144.7 28.84 1.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.518 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 332' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' D' ' 333' ' ' ILE . 11.7 m-20 -92.76 95.29 9.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.398 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . 0.541 ' CD1' ' HZ3' ' C' ' 206' ' ' LYS . 2.2 mt -38.52 -42.12 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.701 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -55.21 -57.11 13.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.122 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.19 -50.74 71.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.08 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 57.3 mt -50.51 -46.14 57.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.457 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -66.01 -49.45 67.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.439 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -58.53 -42.79 88.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.161 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 339' ' ' CYS . . . . . . . . . . . . . 90.9 m -61.1 -53.88 51.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.112 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 340' ' ' ARG . . . . . 0.671 HH12 ' CD1' ' C' ' 273' ' ' LEU . 0.0 OUTLIER -50.98 -41.39 59.43 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.402 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -59.65 -51.59 69.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.486 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 342' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -71.38 -33.5 69.58 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.709 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 343' ' ' PHE . . . . . 0.443 ' CD1' ' CD1' ' C' ' 273' ' ' LEU . 1.6 t80 -67.2 -43.7 81.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.572 -179.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -69.63 -50.53 43.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.349 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 50.8 mtp85 -53.77 -51.3 63.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.411 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 71.1 mtt-85 . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.593 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.768 0.318 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -77.52 93.04 4.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.54 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.7 mt -90.39 42.59 1.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.614 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.0 t -87.55 -27.83 22.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.593 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -96.93 29.09 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.72 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -105.66 169.52 8.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.564 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -118.05 168.69 10.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.672 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -60.79 -47.2 87.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.539 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.14 -48.93 79.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.816 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -55.47 -57.89 10.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.63 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.1 mt -52.49 -59.53 4.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.607 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.525 ' NH1' ' O ' ' B' ' 173' ' ' LEU . 15.3 tpt180 -53.04 -42.87 66.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.569 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.438 ' O ' ' OG1' ' A' ' 29' ' ' THR . 11.0 m-20 -62.62 -48.18 80.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.423 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.513 ' O ' ' N ' ' A' ' 30' ' ' SER . 87.2 m -54.08 -46.66 72.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.6 mt -71.46 -30.42 39.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.715 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.679 HD22 HH12 ' B' ' 142' ' ' ARG . 0.9 OUTLIER -83.5 -23.75 32.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.294 -179.402 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 32.6 p -107.64 -43.6 4.46 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.76 0.314 . . . . 0.0 111.052 -179.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.8 OUTLIER -79.3 172.85 13.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.074 0.464 . . . . 0.0 111.166 -179.5 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.2 p -144.35 13.94 1.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.074 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 33' ' ' ILE . 11.4 m-20 -74.08 95.01 2.48 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.536 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 32' ' ' ASP . 2.4 mt -38.42 -41.44 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.78 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -56.42 -58.75 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.084 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.9 mt -59.04 -42.92 91.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.043 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.0 mt -50.57 -44.1 56.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.95 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.7 -48.63 68.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.064 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.88 -47.06 83.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.274 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.484 ' O ' ' OE2' ' A' ' 42' ' ' GLU . 90.8 m -62.79 -44.18 96.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.143 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.533 ' NH1' ' CD1' ' B' ' 171' ' ' LEU . 0.7 OUTLIER -63.26 -28.18 69.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.396 179.711 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -73.58 -61.42 1.84 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.217 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.496 ' CD ' ' N ' ' A' ' 43' ' ' PHE . 2.5 pp20? -51.97 -36.31 49.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.989 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.496 ' N ' ' CD ' ' A' ' 42' ' ' GLU . 0.9 OUTLIER -66.46 -52.86 41.82 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.238 179.645 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -60.35 -44.47 95.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.962 0.41 . . . . 0.0 110.153 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 86.8 mtt-85 -55.3 -56.43 20.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.281 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 71.8 mtt-85 -48.92 -39.0 24.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.563 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -79.86 -20.7 45.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.287 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -80.55 -32.24 36.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.49 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.3 p -103.69 144.43 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.494 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.521 ' CD2' ' O ' ' A' ' 50' ' ' TYR . 45.5 t80 59.78 30.08 19.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.512 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 18.0 t60 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.543 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.519 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -94.7 114.36 26.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.66 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 21.7 pt -102.26 152.24 5.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.622 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -104.38 128.77 52.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.651 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 99.3 t -116.1 114.41 46.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.358 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -84.95 128.02 34.44 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.567 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 24.2 p -76.77 -175.42 3.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.541 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.584 ' CD2' ' N ' ' B' ' 108' ' ' LEU . 3.0 mm? -74.3 -29.94 61.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.508 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 6.9 p -80.61 -42.61 21.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.485 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 139.57 6.7 1.12 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -80.47 119.08 22.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.777 0.322 . . . . 0.0 110.638 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 6.5 m -85.51 146.39 26.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.44 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 1.9 mt -132.35 125.47 53.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.592 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 9.8 m -89.76 112.74 24.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.192 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 15.6 mt -116.48 128.8 55.78 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.988 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -78.87 121.19 24.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.024 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . 0.519 ' O ' ' N ' ' B' ' 101' ' ' MET . 12.1 m -146.74 -177.01 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.997 0.427 . . . . 0.0 110.875 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.546 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 75.1 mt-10 -142.86 151.21 55.88 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.915 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.1 -27.8 4.78 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.61 2.207 . . . . 0.0 112.478 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.4 p -88.27 12.22 14.52 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.195 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . 0.546 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 8.1 m-20 -86.72 134.32 33.6 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.407 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 122' ' ' THR . . . . . 0.562 ' HG1' ' H ' ' B' ' 125' ' ' ASN . 13.1 p -83.9 135.0 34.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.957 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 27.0 mm -43.44 -49.03 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.259 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -51.35 -38.51 53.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.142 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.562 ' H ' ' HG1' ' B' ' 122' ' ' THR . 10.2 t-20 -63.89 -38.4 90.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.015 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 16.2 t -64.94 -45.54 94.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.045 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -56.54 -36.53 69.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.21 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.35 -46.4 76.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.324 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -56.05 -49.87 72.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.456 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' B' ' 133' ' ' LYS . 55.3 mt -58.48 -53.54 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.349 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . 0.431 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.9 OUTLIER -46.97 -31.54 3.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.266 179.791 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -75.8 -27.79 58.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.473 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' B' ' 130' ' ' ILE . 46.7 mmtt -80.57 -59.75 2.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.557 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -86.2 -99.72 0.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.525 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 178.75 9.46 0.02 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 39.6 mt -79.89 118.82 74.35 Favored Pre-proline 0 CA--C 1.533 0.322 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.49 151.28 76.28 Favored 'Trans proline' 0 N--CA 1.489 1.26 0 C-N-CA 121.566 1.511 . . . . 0.0 111.694 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.555 ' C ' ' H ' ' B' ' 140' ' ' GLN . 2.6 Cg_endo -48.36 -47.24 20.62 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 C-N-CA 122.59 2.194 . . . . 0.0 112.02 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.7 14.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.973 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.555 ' H ' ' C ' ' B' ' 138' ' ' PRO . 31.8 mt-30 -141.41 28.69 1.82 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.578 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . 0.467 ' OE1' ' CG2' ' B' ' 130' ' ' ILE . 48.4 mt-30 -134.43 85.78 2.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.728 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . 0.679 HH12 HD22 ' A' ' 28' ' ' ASN . 2.8 ttm180 -89.99 115.57 27.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.087 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 15.2 mt -92.03 130.14 37.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.613 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.5 mt -129.07 143.17 42.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.429 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -141.12 92.19 2.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.697 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 66.8 79.83 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 39.13 44.2 2.03 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -149.75 112.26 4.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.367 . . . . 0.0 110.617 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -79.44 128.06 32.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.264 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 11.8 mt -81.5 115.48 20.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.694 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -55.88 158.64 3.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.566 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.43 -17.69 33.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.747 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -107.17 38.81 3.14 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 24.3 mmt-85 -139.56 172.39 12.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.642 0.258 . . . . 0.0 110.335 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 14.9 p -110.58 163.58 13.58 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 76.1 mt -59.55 -41.0 89.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.566 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 157' ' ' SER . . . . . 0.524 ' C ' ' H ' ' B' ' 159' ' ' TYR . 31.4 p -53.57 -32.83 52.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.834 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -71.79 16.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.704 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . 0.524 ' H ' ' C ' ' B' ' 157' ' ' SER . 72.4 m-85 -140.66 3.9 1.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.604 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . 0.528 ' O ' ' NE2' ' B' ' 162' ' ' GLN . 3.6 m120 60.68 27.5 17.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.714 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 86.6 mt -79.4 104.93 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.495 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . 0.528 ' NE2' ' O ' ' B' ' 160' ' ' ASN . 9.1 mp0 -82.45 -161.08 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.723 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 11.4 ptt-85 -82.72 161.71 22.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.746 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 52.76 21.41 1.91 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.54 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 37.3 m -80.12 139.24 36.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.659 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 8.5 m -85.7 146.67 26.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.421 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.1 mt -135.37 146.4 48.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 168' ' ' HIS . . . . . 0.644 ' N ' ' HD1' ' B' ' 168' ' ' HIS . 0.2 OUTLIER -100.52 107.46 19.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.396 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 37.0 tp -84.67 144.07 28.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.427 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.4 t -143.81 167.05 13.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.592 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . 0.533 ' CD1' ' NH1' ' A' ' 40' ' ' ARG . 15.9 mt -103.82 101.23 11.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.244 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -60.65 106.99 0.62 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.488 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 173' ' ' LEU . . . . . 0.525 ' O ' ' NH1' ' A' ' 24' ' ' ARG . 13.2 mt -82.38 159.1 23.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.553 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -60.42 130.7 47.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.535 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . -177.11 36.11 0.09 OUTLIER Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.646 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 201' ' ' MET . . . . . 0.441 ' SD ' ' C ' ' C' ' 218' ' ' GLU . 1.6 ptm . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -72.36 107.24 4.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.609 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 27.3 pt -104.27 144.33 14.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.421 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -97.99 129.96 44.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.549 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 92.8 t -113.89 110.51 32.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.233 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -82.58 149.23 27.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.729 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 207' ' ' THR . . . . . 0.401 ' O ' ' N ' ' C' ' 210' ' ' GLY . 42.0 p -127.17 163.96 22.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.357 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 208' ' ' LEU . . . . . 0.753 ' CD2' ' H ' ' C' ' 208' ' ' LEU . 0.4 OUTLIER -46.08 -57.81 4.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.503 -179.867 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 7.6 p -56.37 -4.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 210' ' ' GLY . . . . . 0.522 ' H ' ' C ' ' C' ' 208' ' ' LEU . . . 86.81 -4.42 86.3 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 211' ' ' LYS . . . . . 0.509 ' NZ ' ' OE2' ' C' ' 234' ' ' GLU . 76.8 tttt -63.63 128.42 35.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 110.491 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 32.0 m -105.42 140.93 37.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.502 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 4.7 mt -125.06 130.65 73.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.493 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 4.9 m -98.48 105.88 18.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.545 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 215' ' ' LEU . . . . . 0.59 ' CD2' ' N ' ' C' ' 215' ' ' LEU . 2.3 mm? -99.27 131.53 45.23 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.665 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -88.49 76.0 8.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.067 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 217' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' C' ' 201' ' ' MET . 9.0 m -100.35 -160.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.11 0.481 . . . . 0.0 111.102 -179.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 218' ' ' GLU . . . . . 0.518 ' N ' ' OD2' ' C' ' 221' ' ' ASP . 2.4 mt-10 -148.16 170.27 7.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.613 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 219' ' ' PRO . . . . . 0.416 ' N ' ' SD ' ' C' ' 201' ' ' MET . 3.4 Cg_exo -72.73 -13.01 26.94 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 C-N-CA 122.31 2.006 . . . . 0.0 112.375 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.1 p -103.17 7.62 38.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.328 . . . . 0.0 110.583 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 221' ' ' ASP . . . . . 0.518 ' OD2' ' N ' ' C' ' 218' ' ' GLU . 6.4 m-20 -83.18 139.12 33.34 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.527 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 222' ' ' THR . . . . . 0.426 ' OG1' ' OD1' ' C' ' 225' ' ' ASN . 12.8 p -85.15 139.31 31.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.882 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 37.1 mm -46.2 -39.92 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.474 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -57.36 -45.22 84.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.429 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 225' ' ' ASN . . . . . 0.426 ' OD1' ' OG1' ' C' ' 222' ' ' THR . 2.8 m120 -60.61 -40.03 90.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.098 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 22.9 t -61.65 -43.75 97.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.026 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 227' ' ' LYS . . . . . 0.441 ' O ' ' OE1' ' C' ' 241' ' ' GLN . 18.2 mttp -57.02 -40.87 77.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.072 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.52 97.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.305 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -61.17 -51.09 70.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.46 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 57.9 mt -57.54 -45.89 86.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.41 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 231' ' ' GLN . . . . . 0.459 ' N ' HE22 ' C' ' 241' ' ' GLN . 1.0 OUTLIER -56.75 -29.55 62.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.414 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -72.57 -39.99 66.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.337 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -70.65 -62.02 1.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.266 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 234' ' ' GLU . . . . . 0.509 ' OE2' ' NZ ' ' C' ' 211' ' ' LYS . 28.8 mm-40 -80.1 -103.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.51 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 178.73 3.08 0.02 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 236' ' ' ILE . . . . . 0.524 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 52.8 mt -74.27 123.6 89.3 Favored Pre-proline 0 C--N 1.329 -0.292 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -58.5 152.56 54.09 Favored 'Trans proline' 0 C--N 1.314 -1.26 0 C-N-CA 121.594 1.529 . . . . 0.0 111.522 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 238' ' ' PRO . . . . . 0.497 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.6 Cg_endo -48.57 -68.07 0.1 OUTLIER 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 122.458 2.105 . . . . 0.0 111.968 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 239' ' ' ASP . . . . . 0.449 ' N ' ' OD1' ' C' ' 239' ' ' ASP . 3.4 m-20 -42.5 -23.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 240' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' C' ' 238' ' ' PRO . 23.9 mt-30 -101.52 32.49 3.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.852 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 241' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 87.5 mt-30 -134.6 82.99 2.0 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.778 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 242' ' ' ARG . . . . . 0.658 ' HE ' ' NE2' ' C' ' 249' ' ' GLN . 27.5 ttt85 -89.92 120.17 30.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.23 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 16.0 mt -97.46 129.18 44.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.089 0.471 . . . . 0.0 111.063 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.5 mt -127.38 119.82 53.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.19 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 245' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -100.75 78.48 1.97 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.886 0.374 . . . . 0.0 110.966 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 54.23 79.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 247' ' ' GLY . . . . . 0.601 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 59.99 42.08 98.19 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -150.86 92.2 1.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.786 0.327 . . . . 0.0 110.641 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 249' ' ' GLN . . . . . 0.658 ' NE2' ' HE ' ' C' ' 242' ' ' ARG . 13.8 tt0 -68.97 118.26 11.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.107 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 12.2 mt -79.59 138.32 37.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.913 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -81.87 158.98 23.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.391 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.05 -4.92 59.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.726 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -117.67 35.49 4.07 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 17.7 mmm-85 -139.35 171.12 14.74 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 16.2 p -108.84 163.7 13.04 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.699 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.24 -33.43 74.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.806 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 257' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' C' ' 219' ' ' PRO . 5.4 p -61.59 -42.66 99.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.766 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.92 -41.28 45.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.625 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -85.12 1.12 49.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.72 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 260' ' ' ASN . . . . . 0.468 ' O ' ' ND2' ' C' ' 260' ' ' ASN . 4.8 t30 61.27 26.39 16.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 77.9 mt -69.69 109.3 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.292 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -79.24 -170.67 2.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -81.06 161.15 24.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.716 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 56.42 27.94 12.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.742 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 36.8 m -83.75 132.69 34.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.466 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 10.1 m -90.63 100.37 13.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.553 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 5.1 mt -85.88 164.96 17.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.462 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 268' ' ' HIS . . . . . 0.673 ' N ' ' HD1' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -114.85 101.1 8.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.042 179.74 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 42.2 tp -81.15 143.17 32.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.723 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 1.9 t -143.09 156.82 17.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.312 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 271' ' ' LEU . . . . . 0.449 ' CD1' ' N ' ' C' ' 271' ' ' LEU . 7.3 mp -98.62 98.74 9.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.372 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -52.24 101.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.507 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 273' ' ' LEU . . . . . . . . . . . . . 21.7 mt -75.38 143.76 42.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.527 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.553 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 313' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' D' ' 313' ' ' TYR . 10.6 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.773 0.32 . . . . 0.0 110.522 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 314' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' D' ' 314' ' ' ASP . 1.8 m-20 -79.35 92.74 5.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.561 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 13.6 mt -107.55 46.19 0.96 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.282 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 7.4 t -64.83 -29.95 70.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.815 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 25.4 pttt -158.89 106.24 1.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.758 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -121.94 -175.07 3.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.064 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -123.07 163.5 20.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.654 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 320' ' ' TYR . . . . . 0.454 ' C ' ' CD1' ' D' ' 320' ' ' TYR . 10.8 t80 -63.3 -49.77 72.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.547 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -62.06 -35.93 80.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.697 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 322' ' ' GLU . . . . . 0.437 ' O ' ' OG1' ' D' ' 326' ' ' THR . 88.7 mt-10 -67.85 -55.21 13.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.675 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 15.2 mt -58.27 -57.41 13.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.594 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 324' ' ' ARG . . . . . 0.507 ' O ' ' ND2' ' D' ' 328' ' ' ASN . 7.9 tpt180 -53.11 -47.96 68.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.614 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 325' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' D' ' 329' ' ' THR . 5.3 t70 -60.1 -48.46 81.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.67 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 326' ' ' THR . . . . . 0.557 ' O ' ' N ' ' D' ' 330' ' ' SER . 12.2 m -52.56 -48.5 66.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.7 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 327' ' ' ILE . . . . . 0.421 HG21 HD12 ' D' ' 327' ' ' ILE . 90.6 mt -68.05 -31.86 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.677 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 328' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' D' ' 324' ' ' ARG . 1.5 m-80 -88.38 -12.65 42.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.161 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.538 ' N ' ' O ' ' D' ' 325' ' ' ASP . 59.1 p -115.96 -16.07 11.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.862 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 330' ' ' SER . . . . . 0.557 ' N ' ' O ' ' D' ' 326' ' ' THR . 3.3 t -111.04 -179.26 3.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.008 0.432 . . . . 0.0 110.889 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 331' ' ' CYS . . . . . 0.601 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 10.0 p -149.15 8.55 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.101 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 332' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' D' ' 333' ' ' ILE . 6.8 m-20 -70.06 93.84 0.83 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.426 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' D' ' 332' ' ' ASP . 2.3 mt -38.71 -41.38 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.686 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -55.71 -54.5 43.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.169 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 335' ' ' LEU . . . . . 0.446 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 9.2 mt -62.33 -38.31 88.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.135 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 90.1 mt -56.5 -44.05 80.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.199 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -68.45 -49.23 61.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.494 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.31 95.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.393 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 339' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 76.5 m -61.97 -53.4 56.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.254 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 16.4 mtp-105 -52.94 -39.07 62.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.24 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -62.2 -62.74 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.604 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 342' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -59.05 -34.65 72.17 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.545 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -59.64 -49.04 79.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.644 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -73.18 -53.53 10.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.532 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -45.88 -44.02 14.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.473 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.451 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.689 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 11' ' ' LYS . 6.9 t -171.96 132.0 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.776 0.322 . . . . 0.0 110.538 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 10' ' ' THR . 45.6 tttm 59.37 120.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.607 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -74.83 -156.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.544 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -129.77 140.31 51.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.495 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -78.82 92.92 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.545 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 mt -91.2 37.76 0.95 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.569 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.7 t -79.72 -32.59 41.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.601 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 pttm -81.37 1.16 34.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.63 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -81.96 176.62 9.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.536 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -122.77 168.01 12.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.441 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.645 ' HH ' ' N ' ' B' ' 176' ' ' GLY . 32.4 t80 -62.34 -46.95 86.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.759 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.81 -46.71 89.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.758 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -57.66 -57.17 13.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.662 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.3 mt -52.15 -60.71 2.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.499 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.669 ' NH1' HD22 ' A' ' 28' ' ' ASN . 14.8 tpt85 -52.8 -53.35 49.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.065 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' A' ' 29' ' ' THR . 5.6 t70 -51.05 -51.93 48.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.976 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.554 ' O ' ' N ' ' A' ' 30' ' ' SER . 29.7 m -48.33 -50.49 30.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.49 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.452 HD11 HG23 ' A' ' 27' ' ' ILE . 84.7 mt -69.02 -21.1 25.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.628 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.669 HD22 ' NH1' ' A' ' 24' ' ' ARG . 1.1 m-80 -104.79 3.49 31.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.433 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.541 ' N ' ' O ' ' A' ' 25' ' ' ASP . 36.8 p -145.49 -2.58 0.76 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.362 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.554 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.2 t -118.26 163.62 16.4 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.07 0.462 . . . . 0.0 111.042 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.408 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 19.9 p -139.06 88.47 2.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.29 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -159.71 97.98 1.34 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.497 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.2 mt -39.56 -38.57 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.761 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -60.62 -59.05 6.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.352 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.7 mt -59.87 -47.19 86.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.14 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.9 mt -50.55 -43.4 56.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.424 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.45 -49.16 67.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.279 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.35 -44.9 92.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.381 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.495 ' O ' ' OE2' ' A' ' 42' ' ' GLU . 97.8 m -63.02 -44.57 95.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.23 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -65.85 -27.08 67.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.43 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -70.99 -61.4 1.77 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.495 ' OE2' ' O ' ' A' ' 39' ' ' CYS . 3.0 pp20? -55.27 -34.53 64.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.95 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.476 ' N ' ' CD ' ' A' ' 42' ' ' GLU . 5.8 t80 -63.83 -49.01 74.49 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.183 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 42.7 m170 -64.34 -41.73 96.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.314 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.522 ' O ' ' N ' ' A' ' 49' ' ' VAL . 97.7 mtt180 -55.3 -54.08 48.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.353 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 -45.94 -34.37 3.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.59 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.0 mt -80.22 -35.35 36.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.493 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.3 mttm -86.58 -9.58 55.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.688 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.542 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 73.2 t -98.49 124.62 51.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.703 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.542 ' CD2' ' O ' ' A' ' 49' ' ' VAL . 19.6 m-85 -162.73 99.22 1.0 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.322 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.463 ' OXT' ' ND1' ' A' ' 51' ' ' HIS . 48.5 t-80 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.556 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.538 ' N ' ' O ' ' B' ' 117' ' ' VAL . 34.8 ttp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -85.32 133.49 34.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.546 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 19.3 pt -133.53 148.55 30.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.611 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -101.87 144.56 30.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.745 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 39.8 t -127.67 107.53 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.248 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -80.77 132.68 35.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.7 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' B' ' 111' ' ' LYS . 40.9 p -89.41 -170.02 2.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.209 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.591 ' CD2' ' N ' ' B' ' 108' ' ' LEU . 2.9 mm? -75.91 -55.31 5.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.528 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' THR . . . . . 0.614 ' HG1' ' N ' ' B' ' 110' ' ' GLY . 7.1 p -56.38 -47.71 78.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.566 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . 0.614 ' N ' ' HG1' ' B' ' 109' ' ' THR . . . 146.86 -1.85 0.83 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.433 ' O ' ' OG1' ' B' ' 107' ' ' THR . 50.9 tttp -74.85 124.97 27.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.84 0.353 . . . . 0.0 110.578 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 6.8 m -97.57 155.38 16.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.555 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 4.0 mt -134.2 129.37 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.593 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 14.0 m -92.87 117.34 29.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.406 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 24.9 mt -119.67 130.87 55.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.774 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -88.35 123.07 32.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.137 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' B' ' 101' ' ' MET . 15.5 m -147.81 -168.05 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.861 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -141.16 149.52 55.63 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.944 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.82 -20.45 1.1 Allowed 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.584 2.189 . . . . 0.0 112.631 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.3 p -94.93 11.92 30.12 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.228 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -84.12 135.78 34.26 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.347 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' THR . . . . . 0.499 ' O ' ' N ' ' B' ' 125' ' ' ASN . 6.9 p -84.74 132.64 34.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.782 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . 0.435 HG21 HD13 ' B' ' 123' ' ' ILE . 28.0 mm -42.43 -31.58 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.057 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -66.85 -39.95 87.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.166 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' B' ' 122' ' ' THR . 16.9 m120 -64.74 -38.95 92.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.941 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 14.1 t -65.19 -51.92 59.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.959 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -49.91 -39.26 39.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.037 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.0 -45.75 87.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.254 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -55.7 -39.1 70.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.305 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 8.9 mt -68.8 -39.42 80.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.259 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -58.34 -31.55 67.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.252 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -77.48 -42.24 36.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.636 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -64.55 -63.2 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.594 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -86.11 -108.11 0.05 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.629 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -172.98 11.57 0.04 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.789 -0.925 . . . . 0.0 110.789 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.555 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 45.2 mt -86.06 115.78 63.22 Favored Pre-proline 0 C--N 1.329 -0.307 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -64.24 153.38 76.86 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 121.534 1.489 . . . . 0.0 111.621 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.526 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.6 Cg_endo -48.11 -67.77 0.1 Allowed 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.503 2.135 . . . . 0.0 111.942 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -40.31 -23.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.991 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' B' ' 138' ' ' PRO . 27.3 mt-30 -101.48 33.67 2.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.7 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.555 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 81.4 mt-30 -134.61 164.44 27.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . 0.647 ' HE ' ' NE2' ' B' ' 149' ' ' GLN . 16.7 ttt85 -170.42 105.96 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.859 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 11.3 mt -89.37 141.9 28.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.7 mt -127.97 133.21 67.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.985 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . 0.498 ' O ' ' N ' ' B' ' 148' ' ' LYS . 45.8 t80 -140.84 156.62 46.09 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.581 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 40.78 27.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.646 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' B' ' 145' ' ' PHE . . . 70.53 38.23 68.8 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' B' ' 145' ' ' PHE . 76.4 mttt -147.21 133.69 19.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.755 0.312 . . . . 0.0 110.617 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . 0.647 ' NE2' ' HE ' ' B' ' 142' ' ' ARG . 8.5 tt0 -68.99 138.13 54.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.384 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 16.7 mt -95.24 137.13 34.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.893 0.377 . . . . 0.0 110.662 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -84.19 163.02 19.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.636 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.7 -35.88 33.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.835 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -88.68 40.35 3.08 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.384 -0.687 . . . . 0.0 111.384 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -139.65 170.53 15.73 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 29.4 p -113.67 167.91 10.22 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.897 0.379 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.54 -39.53 93.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.68 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 157' ' ' SER . . . . . 0.503 ' C ' ' H ' ' B' ' 159' ' ' TYR . 10.4 t -63.75 -30.46 71.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -69.41 10.68 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.783 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . 0.503 ' H ' ' C ' ' B' ' 157' ' ' SER . 48.2 m-85 -140.72 13.05 2.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.508 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . 0.421 ' O ' ' OD1' ' B' ' 160' ' ' ASN . 53.4 t-20 59.2 23.44 11.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.648 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 93.0 mt -76.12 94.86 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.445 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -80.02 -156.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.688 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -80.96 159.79 24.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.741 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 54.88 36.08 25.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.701 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 26.4 m -88.24 137.67 32.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.532 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 4.9 m -92.89 107.7 19.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.581 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 11.2 mt -99.74 123.73 44.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.662 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 168' ' ' HIS . . . . . 0.691 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -81.49 111.32 17.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.035 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 27.5 tp -89.83 122.7 33.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.705 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.1 t -122.78 139.03 50.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.264 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . 0.467 ' N ' ' CD1' ' B' ' 171' ' ' LEU . 8.0 mp -81.03 101.94 9.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.555 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -57.73 103.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.484 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 21.6 mt -70.12 113.92 7.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.579 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -85.17 131.44 34.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.487 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 179.7 -79.82 0.06 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . 0.645 ' N ' ' HH ' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.525 0.692 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 201' ' ' MET . . . . . 0.541 ' N ' ' O ' ' C' ' 217' ' ' VAL . 31.5 ttp . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 202' ' ' GLN . . . . . 0.412 ' N ' ' CG ' ' C' ' 201' ' ' MET . 61.7 mt-30 -126.77 113.1 16.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.265 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 25.9 pt -110.46 148.89 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.969 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -103.25 157.1 17.24 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.388 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 23.2 t -136.5 105.1 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.228 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -81.35 129.78 34.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.639 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 207' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' C' ' 211' ' ' LYS . 36.8 p -87.79 -171.6 3.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.381 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 208' ' ' LEU . . . . . 0.573 ' N ' ' CD2' ' C' ' 208' ' ' LEU . 3.2 mm? -71.03 -59.35 2.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.544 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 17.3 p -56.39 -46.49 80.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.542 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 149.95 -13.07 0.98 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 211' ' ' LYS . . . . . 0.427 ' O ' ' OG1' ' C' ' 207' ' ' THR . 82.7 tttt -57.58 118.31 5.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.81 0.338 . . . . 0.0 110.595 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 18.1 m -97.63 154.39 17.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.504 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 1.5 mt -135.7 126.57 43.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.617 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 17.9 m -98.51 128.31 44.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.439 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 36.4 mt -131.42 136.44 48.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.874 0.369 . . . . 0.0 110.781 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -86.3 123.9 32.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.184 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 217' ' ' VAL . . . . . 0.541 ' O ' ' N ' ' C' ' 201' ' ' MET . 16.1 m -147.74 -174.55 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.928 0.394 . . . . 0.0 110.968 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 218' ' ' GLU . . . . . 0.416 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 48.1 mt-10 -133.6 151.87 77.99 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.9 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.37 -26.68 4.21 Favored 'Trans proline' 0 C--N 1.31 -1.492 0 C-N-CA 122.608 2.205 . . . . 0.0 112.577 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 220' ' ' SER . . . . . 0.467 ' H ' ' HG ' ' C' ' 220' ' ' SER . 2.8 p -79.91 -28.81 39.76 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.139 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 221' ' ' ASP . . . . . 0.416 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 1.2 m-20 -42.69 135.61 2.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.915 0.388 . . . . 0.0 110.65 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 222' ' ' THR . . . . . 0.438 ' O ' ' N ' ' C' ' 225' ' ' ASN . 19.3 p -89.51 139.17 30.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.538 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 223' ' ' ILE . . . . . 0.415 HG21 HD13 ' C' ' 223' ' ' ILE . 19.4 mm -43.77 -47.32 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.524 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -55.68 -33.49 64.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.402 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 225' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' C' ' 222' ' ' THR . 11.6 t30 -67.87 -42.08 81.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.218 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 22.0 t -63.85 -47.31 91.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.24 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -55.75 -38.73 70.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.111 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.39 98.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.184 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -60.18 -46.62 89.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.339 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 61.2 mt -59.96 -40.14 82.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.27 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 231' ' ' GLN . . . . . 0.532 HE22 ' C ' ' C' ' 235' ' ' GLY . 2.0 tp-100 -61.35 -30.91 70.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.219 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -78.36 -17.63 56.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.48 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -89.94 -61.8 1.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.594 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -85.38 -107.0 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.576 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 235' ' ' GLY . . . . . 0.532 ' C ' HE22 ' C' ' 231' ' ' GLN . . . -175.98 18.04 0.04 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 236' ' ' ILE . . . . . 0.507 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 23.9 mt -89.53 114.39 60.31 Favored Pre-proline 0 C--N 1.33 -0.263 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.14 150.03 81.55 Favored 'Trans proline' 0 N--CA 1.488 1.197 0 C-N-CA 121.46 1.44 . . . . 0.0 111.487 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -47.63 -56.74 2.82 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.337 2.025 . . . . 0.0 111.854 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 239' ' ' ASP . . . . . 0.486 ' O ' ' NE ' ' C' ' 272' ' ' ARG . 2.6 p-10 -50.14 -21.44 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.54 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -106.54 33.89 3.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.634 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 241' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 79.6 mt-30 -134.37 150.25 50.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.604 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 242' ' ' ARG . . . . . 0.492 ' NH2' ' OD1' ' D' ' 328' ' ' ASN . 41.7 ttt85 -155.63 115.79 3.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.166 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 243' ' ' LEU . . . . . 0.502 ' N ' ' CD1' ' C' ' 243' ' ' LEU . 6.6 mp -93.71 126.48 38.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.801 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.4 mt -128.33 117.59 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 245' ' ' PHE . . . . . 0.53 ' CE2' ' OD2' ' A' ' 25' ' ' ASP . 44.9 t80 -105.71 77.41 1.26 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.896 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 62.21 89.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.808 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 247' ' ' GLY . . . . . 0.519 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 45.92 43.01 12.12 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -150.81 97.66 2.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 110.697 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 249' ' ' GLN . . . . . 0.553 HE21 ' C ' ' C' ' 250' ' ' LEU . 0.3 OUTLIER -76.62 118.23 19.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.096 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 250' ' ' LEU . . . . . 0.553 ' C ' HE21 ' C' ' 249' ' ' GLN . 10.7 mt -77.51 137.47 38.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 111.044 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -80.8 160.37 24.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.4 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.62 -7.04 59.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.867 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -117.52 40.95 2.19 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -137.23 175.41 9.64 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 255' ' ' THR . . . . . 0.524 ' C ' ' H ' ' C' ' 257' ' ' SER . 21.9 p -119.36 157.2 28.64 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.542 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 94.1 mt -57.87 -3.63 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.606 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 257' ' ' SER . . . . . 0.524 ' H ' ' C ' ' C' ' 255' ' ' THR . 76.9 p -96.4 -20.58 18.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.623 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.8 10.82 4.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.705 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -140.59 8.9 2.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.61 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 260' ' ' ASN . . . . . 0.504 ' O ' ' ND2' ' C' ' 260' ' ' ASN . 3.1 t30 61.33 14.35 5.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 74.0 mt -61.74 94.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.366 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 262' ' ' GLN . . . . . 0.418 ' C ' ' SD ' ' C' ' 201' ' ' MET . 3.7 tt0 -76.95 -156.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.697 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -83.71 156.9 22.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.932 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 59.57 33.8 22.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.963 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 39.9 m -89.19 126.84 35.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.534 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 9.6 m -85.67 110.73 19.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.562 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 11.9 mt -99.45 120.46 39.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.706 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 268' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -76.82 113.47 14.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.343 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 30.1 tp -90.09 124.08 34.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.61 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 2.2 t -124.78 139.45 50.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.179 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 271' ' ' LEU . . . . . 0.434 ' CD1' ' N ' ' C' ' 271' ' ' LEU . 8.3 mp -74.71 103.58 5.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.657 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 272' ' ' ARG . . . . . 0.486 ' NE ' ' O ' ' C' ' 239' ' ' ASP . 53.2 ttp85 -61.1 105.43 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.483 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 273' ' ' LEU . . . . . 0.515 ' CD2' ' HE2' ' D' ' 344' ' ' HIS . 23.2 mt -71.75 171.61 11.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.624 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 -71.26 -174.76 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.588 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . -179.01 -86.03 0.06 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.556 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.648 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 310' ' ' THR . . . . . 0.431 ' O ' ' O ' ' D' ' 311' ' ' LYS . 6.2 t -163.62 134.71 4.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.329 . . . . 0.0 110.551 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 311' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' D' ' 310' ' ' THR . 27.5 mmtt 40.35 94.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.716 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 312' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt -126.49 -176.49 3.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.489 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -114.73 147.22 40.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.508 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -84.73 92.84 8.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.512 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 15.2 mt -95.09 33.65 1.5 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.543 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 56.2 m -91.19 18.53 6.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.657 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -144.37 26.52 1.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.587 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -96.23 171.24 8.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.397 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -121.58 165.83 15.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.497 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -54.22 -49.02 70.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.554 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 321' ' ' ALA . . . . . 0.41 ' O ' ' CB ' ' D' ' 325' ' ' ASP . . . -63.11 -41.35 99.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 322' ' ' GLU . . . . . 0.426 ' O ' ' OG1' ' D' ' 326' ' ' THR . 64.0 mm-40 -56.56 -59.43 5.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.748 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 15.3 mt -58.19 -57.82 11.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.643 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 324' ' ' ARG . . . . . 0.643 ' NH1' HD22 ' D' ' 328' ' ' ASN . 10.5 tpt85 -53.99 -53.28 55.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.064 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 325' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' D' ' 329' ' ' THR . 36.5 t70 -63.32 -44.75 94.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.968 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 326' ' ' THR . . . . . 0.459 ' O ' ' N ' ' D' ' 330' ' ' SER . 65.6 m -59.12 -39.29 81.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.606 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 78.7 mt -73.31 -32.97 39.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.176 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 328' ' ' ASN . . . . . 0.643 HD22 ' NH1' ' D' ' 324' ' ' ARG . 0.9 OUTLIER -85.33 -21.73 28.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.975 -179.701 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.492 ' N ' ' O ' ' D' ' 325' ' ' ASP . 57.9 p -102.28 -36.56 8.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.926 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 330' ' ' SER . . . . . 0.459 ' N ' ' O ' ' D' ' 326' ' ' THR . 1.2 t -92.04 179.55 5.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.971 0.415 . . . . 0.0 111.039 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 331' ' ' CYS . . . . . 0.519 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 11.3 p -147.24 9.56 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.213 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.35 93.85 0.24 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.432 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 1.6 mt -38.52 -46.51 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.953 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -53.28 -57.34 10.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.114 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 335' ' ' LEU . . . . . 0.508 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 9.5 mt -57.72 -46.22 84.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.018 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 93.3 mt -51.51 -43.07 62.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.51 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -67.22 -49.08 65.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.707 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -68.13 -32.85 73.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.984 0.421 . . . . 0.0 110.714 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 339' ' ' CYS . . . . . 0.508 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 84.3 m -68.29 -43.37 77.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.19 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 340' ' ' ARG . . . . . 0.4 ' CZ ' ' CB ' ' D' ' 340' ' ' ARG . 10.1 mtp-105 -69.55 -40.45 76.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.942 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 341' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' D' ' 342' ' ' GLU . 5.1 pt-20 -63.84 -43.93 94.69 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.632 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 342' ' ' GLU . . . . . 0.435 ' N ' ' CG ' ' D' ' 341' ' ' GLU . 3.8 pt-20 -69.86 -37.88 76.24 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.182 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -59.53 -45.56 91.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.884 0.373 . . . . 0.0 110.277 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 344' ' ' HIS . . . . . 0.515 ' HE2' ' CD2' ' C' ' 273' ' ' LEU . 59.3 m170 -66.97 -53.46 31.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.466 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -45.84 -54.84 7.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.235 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -46.15 -38.57 8.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.443 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 76.4 mt -76.54 -50.56 13.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.51 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -63.83 -72.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.568 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 349' ' ' VAL . . . . . 0.423 ' O ' ' CD2' ' D' ' 350' ' ' TYR . 16.0 m -80.18 -169.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.53 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 350' ' ' TYR . . . . . 0.423 ' CD2' ' O ' ' D' ' 349' ' ' VAL . 72.1 m-85 -156.15 25.86 0.36 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.452 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 351' ' ' HIS . . . . . 0.548 ' N ' ' ND1' ' D' ' 351' ' ' HIS . 4.7 p-80 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.658 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.688 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.1 p -87.92 -155.2 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.03 0.443 . . . . 0.0 110.476 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -108.68 102.75 11.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.53 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.529 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 24.6 mmtp -78.82 -170.13 2.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.485 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.529 ' CD1' ' O ' ' A' ' 12' ' ' LYS . 8.4 m-85 -150.58 112.31 4.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.596 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.3 p30 -79.31 93.63 5.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.454 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.8 mt -91.31 43.7 1.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.8 t -86.24 -5.34 59.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.794 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.9 mttp -147.59 78.19 1.45 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.776 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -128.77 163.21 25.66 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.355 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -107.35 164.34 12.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.536 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.422 ' OH ' ' O ' ' B' ' 175' ' ' GLY . 12.9 t80 -63.08 -49.29 75.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.411 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.05 -38.87 84.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.635 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.431 ' O ' ' OG1' ' A' ' 26' ' ' THR . 95.5 mt-10 -63.11 -56.72 14.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.743 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.1 mt -54.37 -58.33 7.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.617 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.519 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 5.9 tpt180 -53.01 -52.28 58.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.519 ' OD1' ' CE2' ' C' ' 245' ' ' PHE . 36.8 t0 -53.02 -51.57 61.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.332 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 30' ' ' SER . 6.5 m -50.96 -47.91 61.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.863 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.9 mt -74.36 -18.31 16.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.828 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.639 HD21 ' N ' ' A' ' 28' ' ' ASN . 0.8 OUTLIER -99.63 -4.13 31.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.17 -179.781 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 20.6 p -135.45 -40.74 0.72 Allowed 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.074 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.524 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.9 OUTLIER -71.98 168.42 18.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.968 0.413 . . . . 0.0 111.095 -179.358 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.7 p -146.78 88.01 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.319 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -162.42 99.7 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.604 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.4 mt -39.87 -36.69 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.633 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -62.1 -58.94 5.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.261 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.0 mt -60.62 -48.29 82.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.046 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.0 mt -53.87 -46.78 71.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.512 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.78 -49.09 79.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.432 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.12 -53.17 59.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.493 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 78.9 m -51.75 -43.65 63.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.371 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.8 mtp85 -65.91 -38.27 88.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.525 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -62.32 -46.05 90.45 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.945 -179.261 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.525 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 3.7 pt-20 -71.08 -35.34 71.82 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -61.43 -42.34 98.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.899 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -68.61 -53.82 20.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.282 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 84.0 mtt-85 -46.42 -53.48 10.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.94 0.4 . . . . 0.0 110.247 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -47.31 -40.57 17.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.51 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.6 mt -72.75 -49.19 32.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.552 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -48.83 -51.68 28.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.595 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.9 m -75.1 -171.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.585 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -77.28 64.56 2.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.625 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 78.7 m80 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.653 -179.91 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.543 ' N ' ' O ' ' B' ' 117' ' ' VAL . 30.3 ttp . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . 0.522 ' OE1' ' N ' ' B' ' 103' ' ' ILE . 0.9 OUTLIER -91.4 130.41 37.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.491 179.852 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . 0.522 ' N ' ' OE1' ' B' ' 102' ' ' GLN . 24.6 pt -134.75 146.3 30.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.79 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -100.62 136.4 40.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.735 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 85.4 t -122.82 105.09 15.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.279 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -91.22 135.33 33.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.678 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 31.3 p -90.78 -163.35 1.01 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.408 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.618 ' CD2' ' H ' ' B' ' 108' ' ' LEU . 0.4 OUTLIER -86.31 -26.48 24.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.505 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 4.5 p -76.78 -46.13 26.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.562 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 142.21 3.5 1.04 Allowed Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.519 ' NZ ' ' OE2' ' B' ' 134' ' ' GLU . 77.3 tttt -75.71 129.41 37.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.734 0.302 . . . . 0.0 110.659 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 64.6 m -112.15 111.67 22.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.543 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 7.9 mt -97.45 133.52 38.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.56 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 34.5 m -99.7 105.55 17.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.397 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.6 ' CD2' ' N ' ' B' ' 115' ' ' LEU . 1.9 mm? -101.65 133.21 46.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.762 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -96.22 95.17 7.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.85 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' B' ' 101' ' ' MET . 19.3 m -119.54 -162.37 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.012 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.513 ' N ' ' OD2' ' B' ' 121' ' ' ASP . 17.4 mt-10 -147.78 152.87 41.9 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.841 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -46.04 -43.6 20.04 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.773 2.315 . . . . 0.0 112.759 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.76 15.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.463 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . 0.513 ' OD2' ' N ' ' B' ' 118' ' ' GLU . 2.9 m-20 -91.59 136.07 33.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.363 . . . . 0.0 110.404 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 3.6 p -82.34 140.41 33.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.045 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . 0.419 HG22 HD11 ' B' ' 123' ' ' ILE . 34.3 mm -46.53 -47.25 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.235 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -52.79 -37.02 59.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.201 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -65.0 -41.94 94.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.988 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 17.6 t -62.16 -39.81 85.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.963 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -61.09 -36.92 80.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.204 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.71 -42.06 91.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.182 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -61.37 -51.61 68.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.372 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 69.1 mt -56.35 -46.08 81.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.399 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . 0.432 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.7 OUTLIER -55.53 -31.87 62.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.12 179.806 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -70.11 -37.97 75.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.353 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -72.65 -63.68 1.11 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.22 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . 0.519 ' OE2' ' NZ ' ' B' ' 111' ' ' LYS . 31.1 mm-40 -79.93 -117.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.633 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -165.26 9.91 0.07 OUTLIER Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.439 ' O ' ' OE1' ' B' ' 141' ' ' GLN . 25.7 mt -79.75 116.31 60.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.91 152.12 76.88 Favored 'Trans proline' 0 C--N 1.314 -1.282 0 C-N-CA 121.497 1.465 . . . . 0.0 111.454 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -47.28 -67.97 0.1 Allowed 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.444 2.096 . . . . 0.0 112.004 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -43.49 -22.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' B' ' 138' ' ' PRO . 23.8 mt-30 -102.63 35.61 2.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.814 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.439 ' OE1' ' O ' ' B' ' 136' ' ' ILE . 33.7 mt-30 -134.62 165.92 24.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.9 0.381 . . . . 0.0 110.811 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . 0.669 HH21 ' NE ' ' B' ' 172' ' ' ARG . 23.1 ttm180 -170.32 132.16 1.0 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.093 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 14.8 mt -112.77 135.27 53.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.061 0.458 . . . . 0.0 111.063 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.7 mt -125.09 128.91 73.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.095 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -146.6 153.62 40.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.555 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 54.56 26.49 7.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 67.9 30.88 74.57 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -147.9 140.48 24.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.746 0.308 . . . . 0.0 110.47 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . 0.572 ' NE2' ' CZ ' ' B' ' 142' ' ' ARG . 31.0 tt0 -73.85 139.24 44.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.516 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 17.5 mt -91.3 139.23 30.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.678 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -78.92 158.29 28.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.575 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.09 3.72 45.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.703 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -122.9 23.81 6.88 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -125.4 172.54 9.55 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 30.4 p -113.83 157.63 22.06 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.893 0.378 . . . . 0.0 110.521 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 64.0 mt -57.24 -22.23 39.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.513 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 7.8 t -79.16 -20.63 47.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.589 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -82.08 12.09 4.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.603 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -140.74 9.75 2.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.545 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 62.78 16.29 8.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 97.2 mt -68.4 92.24 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.809 0.338 . . . . 0.0 110.354 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -78.63 -157.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.749 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . 0.426 ' NH1' ' CG ' ' B' ' 163' ' ' ARG . 14.2 ptt-85 -80.38 161.2 25.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.688 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 57.57 34.33 24.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.753 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 8.6 m -89.45 129.33 35.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.463 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 15.2 m -94.18 99.99 12.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.638 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 2.0 mp -91.77 152.12 20.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.59 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 168' ' ' HIS . . . . . 0.68 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -100.59 117.16 34.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.081 179.715 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 40.0 tp -92.06 130.92 37.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.429 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.0 t -135.88 139.57 45.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.337 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . 0.495 ' N ' ' CD1' ' B' ' 171' ' ' LEU . 7.8 mp -81.08 110.25 16.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.543 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . 0.669 ' NE ' HH21 ' B' ' 142' ' ' ARG . 16.9 ttm180 -66.02 104.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.547 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . 0.425 ' O ' ' NE ' ' A' ' 24' ' ' ARG . 25.4 mt -76.61 102.47 6.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.489 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 16.7 ttp85 -77.63 156.61 30.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 175' ' ' GLY . . . . . 0.422 ' O ' ' OH ' ' A' ' 20' ' ' TYR . . . 160.05 121.79 0.61 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.682 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 201' ' ' MET . . . . . 0.517 ' N ' ' O ' ' C' ' 217' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -88.58 113.85 24.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.758 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 15.5 pt -107.39 147.74 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.584 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -100.82 145.43 28.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.451 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 91.1 t -129.18 109.12 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.315 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -83.96 138.04 33.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.75 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 18.4 p -101.81 -150.45 0.4 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.346 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 208' ' ' LEU . . . . . 0.608 ' CD2' ' H ' ' C' ' 208' ' ' LEU . 0.4 OUTLIER -88.8 -44.48 10.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.518 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 209' ' ' THR . . . . . 0.506 ' C ' ' H ' ' C' ' 211' ' ' LYS . 7.5 p -74.39 23.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.599 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 210' ' ' GLY . . . . . 0.523 ' H ' ' C ' ' C' ' 208' ' ' LEU . . . 72.75 -18.23 1.42 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 211' ' ' LYS . . . . . 0.506 ' H ' ' C ' ' C' ' 209' ' ' THR . 78.6 tttt -46.14 159.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.725 0.298 . . . . 0.0 110.559 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 6.6 m -139.49 146.04 39.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.589 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 4.6 mt -128.41 129.67 69.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.73 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 17.4 m -100.67 116.89 33.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.206 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 29.9 mt -124.72 137.38 54.35 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.911 0.386 . . . . 0.0 110.915 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -82.06 126.59 32.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.11 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 217' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' C' ' 201' ' ' MET . 12.9 m -147.05 -174.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.949 0.404 . . . . 0.0 111.002 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 218' ' ' GLU . . . . . 0.524 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 2.9 mt-10 -140.54 149.91 58.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.694 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.9 -43.72 15.05 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.333 2.022 . . . . 0.0 112.293 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.4 p -62.66 -34.44 77.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.093 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 221' ' ' ASP . . . . . 0.524 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 5.9 m-20 -41.65 135.31 2.22 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 110.817 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 41.4 p -86.35 149.13 25.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.804 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 29.8 mm -54.47 -43.95 65.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.321 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 224' ' ' GLU . . . . . 0.42 ' CD ' ' N ' ' C' ' 225' ' ' ASN . 2.4 pp20? -57.2 -39.24 75.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.331 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 225' ' ' ASN . . . . . 0.52 ' OD1' ' NZ ' ' C' ' 229' ' ' LYS . 46.4 t-20 -63.37 -38.37 90.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.086 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 55.4 t -65.04 -55.1 22.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.173 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 227' ' ' LYS . . . . . 0.511 ' NZ ' ' O ' ' C' ' 241' ' ' GLN . 43.5 mttm -48.16 -39.51 21.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.164 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.79 89.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.25 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 229' ' ' LYS . . . . . 0.52 ' NZ ' ' OD1' ' C' ' 225' ' ' ASN . 38.3 mttp -56.2 -39.81 73.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.351 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 6.6 mt -67.44 -37.98 79.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.296 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -62.16 -27.13 68.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.361 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.58 -26.93 29.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.789 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 26.5 mmtm -82.39 -62.82 1.51 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.756 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -85.07 -104.64 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.806 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -175.79 19.55 0.05 OUTLIER Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 236' ' ' ILE . . . . . 0.517 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 17.6 mt -95.18 111.36 54.63 Favored Pre-proline 0 C--N 1.33 -0.266 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -63.74 153.4 75.61 Favored 'Trans proline' 0 C--N 1.314 -1.277 0 C-N-CA 121.604 1.536 . . . . 0.0 111.777 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 238' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.8 Cg_endo -46.76 -60.4 0.89 Allowed 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.673 2.248 . . . . 0.0 111.871 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -45.56 -23.04 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.612 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 240' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' C' ' 238' ' ' PRO . 0.6 OUTLIER -109.56 36.02 3.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.473 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 241' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 55.3 mt-30 -134.42 147.53 50.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.31 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 242' ' ' ARG . . . . . 0.631 ' NH2' HE22 ' C' ' 249' ' ' GLN . 1.1 ttt-85 -154.9 105.84 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.127 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 19.6 mt -86.53 128.34 34.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.615 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.6 mt -127.95 133.13 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.619 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 245' ' ' PHE . . . . . 0.519 ' CE2' ' OD1' ' A' ' 25' ' ' ASP . 65.9 t80 -125.35 90.13 3.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.664 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 246' ' ' ALA . . . . . 0.429 ' C ' ' H ' ' C' ' 248' ' ' LYS . . . 64.42 53.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.804 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 247' ' ' GLY . . . . . 0.419 ' H ' ' HB3' ' D' ' 331' ' ' CYS . . . 77.25 -15.41 6.94 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 248' ' ' LYS . . . . . 0.429 ' H ' ' C ' ' C' ' 246' ' ' ALA . 64.6 mmtt -81.89 94.28 7.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.349 . . . . 0.0 110.597 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 249' ' ' GLN . . . . . 0.631 HE22 ' NH2' ' C' ' 242' ' ' ARG . 26.8 tt0 -71.66 124.34 24.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.129 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 9.0 mt -83.66 133.77 34.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 110.843 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 251' ' ' GLU . . . . . 0.471 ' CD ' ' N ' ' C' ' 251' ' ' GLU . 1.2 mp0 -86.85 161.43 18.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.44 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.66 -28.15 60.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.865 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -94.92 41.97 2.45 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 36.5 mmt-85 -139.69 177.96 7.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.73 0.3 . . . . 0.0 110.498 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 40.8 p -123.72 164.85 18.3 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.619 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 97.6 mt -65.85 -12.76 56.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.683 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 257' ' ' SER . . . . . 0.525 ' C ' ' H ' ' C' ' 259' ' ' TYR . 9.4 t -85.77 -31.26 22.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.648 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.8 17.21 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.619 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 259' ' ' TYR . . . . . 0.525 ' H ' ' C ' ' C' ' 257' ' ' SER . 65.6 m-85 -140.62 1.77 1.75 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.599 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 2.4 m120 64.13 20.01 12.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 87.5 mt -68.67 102.96 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.442 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -80.79 -156.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.81 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.41 159.78 19.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.735 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 53.06 32.16 12.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.706 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 53.9 m -81.8 128.75 34.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.513 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 85.5 m -88.81 104.91 17.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.549 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 8.2 mt -91.76 167.25 12.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.586 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 268' ' ' HIS . . . . . 0.655 ' N ' ' HD1' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -121.97 98.31 5.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.021 179.778 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 63.2 tp -78.47 148.57 33.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.781 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 2.1 t -145.29 165.61 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.249 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 271' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' C' ' 273' ' ' LEU . 7.5 mp -101.45 84.55 2.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.387 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -45.64 90.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.499 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 273' ' ' LEU . . . . . 0.525 ' O ' ' NH2' ' D' ' 324' ' ' ARG . 26.5 mt -56.8 165.29 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.447 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -172.46 -155.45 0.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.481 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . 82.84 110.75 0.48 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 9.2 p . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.55 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.712 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 19.8 p -67.3 79.38 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.606 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 311' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' D' ' 312' ' ' LYS . 47.9 mtmt -80.94 84.21 6.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.581 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 312' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' D' ' 311' ' ' LYS . 40.3 mmtt 44.57 -172.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.637 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -96.56 134.8 39.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.548 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.01 92.84 6.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.481 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 13.8 mt -96.39 36.62 1.33 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.585 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 31.6 p -84.73 18.47 2.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.607 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -146.65 40.9 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.65 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -109.86 176.72 4.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.454 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.508 ' N ' ' OE1' ' D' ' 322' ' ' GLU . 35.0 mttp -125.39 169.86 11.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.614 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -61.6 -46.63 89.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.524 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 321' ' ' ALA . . . . . 0.404 ' O ' ' CB ' ' D' ' 325' ' ' ASP . . . -60.4 -50.36 73.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.687 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 322' ' ' GLU . . . . . 0.508 ' OE1' ' N ' ' D' ' 319' ' ' LYS . 66.3 mt-10 -54.93 -56.9 14.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.827 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.91 -59.74 4.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.661 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 324' ' ' ARG . . . . . 0.525 ' NH2' ' O ' ' C' ' 273' ' ' LEU . 6.9 tpt180 -52.95 -41.28 64.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.685 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 325' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' D' ' 329' ' ' THR . 10.1 t70 -68.53 -45.87 71.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.745 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 326' ' ' THR . . . . . 0.548 ' O ' ' N ' ' D' ' 330' ' ' SER . 29.6 m -57.53 -46.27 84.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.567 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 96.5 mt -72.1 -31.15 38.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.606 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 328' ' ' ASN . . . . . 0.526 ' N ' HD21 ' D' ' 328' ' ' ASN . 0.9 OUTLIER -84.31 -22.92 30.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.026 -179.508 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.592 ' HG1' ' H ' ' D' ' 330' ' ' SER . 61.8 p -108.8 -49.15 3.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.923 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 330' ' ' SER . . . . . 0.592 ' H ' ' HG1' ' D' ' 329' ' ' THR . 0.4 OUTLIER -74.36 178.55 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.002 0.429 . . . . 0.0 110.859 -179.563 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 331' ' ' CYS . . . . . 0.419 ' HB3' ' H ' ' C' ' 247' ' ' GLY . 3.0 p -146.46 9.43 1.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.12 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -66.13 91.61 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.485 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 2.2 mt -38.31 -40.8 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.856 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -56.46 -54.73 42.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.236 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 335' ' ' LEU . . . . . 0.497 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 10.1 mt -62.86 -36.56 83.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.301 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.01 -43.74 82.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.115 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -69.53 -49.05 58.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.671 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.77 -40.08 94.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.469 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 339' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 85.3 m -64.82 -42.23 95.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.079 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 -66.27 -44.14 84.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.157 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 341' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' D' ' 342' ' ' GLU . 4.2 pt-20 -62.35 -45.07 94.83 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.861 -179.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 342' ' ' GLU . . . . . 0.454 ' N ' ' CG ' ' D' ' 341' ' ' GLU . 3.2 pt-20 -67.9 -35.96 79.37 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.14 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -60.75 -43.61 97.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.965 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -66.18 -53.09 41.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.197 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -46.34 -54.65 8.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.362 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -47.15 -45.16 22.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.581 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 92.2 mt -64.88 -37.18 86.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.424 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -63.9 -60.59 3.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.539 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 349' ' ' VAL . . . . . . . . . . . . . 10.5 p -86.28 130.75 36.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.508 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 350' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -68.45 70.42 0.17 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.553 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 351' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.567 179.934 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . . . . . . 0 CA--C 1.525 0.707 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.42 ' HG1' ' CE ' ' A' ' 12' ' ' LYS . 5.7 t -46.82 94.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.932 0.396 . . . . 0.0 110.546 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 9' ' ' GLY . 49.8 tttp -120.75 52.42 1.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.451 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.459 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 2.7 mptp? -53.12 -176.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.473 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 16.7 m-85 -91.26 141.09 29.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.598 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.75 92.97 6.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.562 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.5 mt -94.99 44.9 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.383 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.6 t -80.37 15.88 1.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -172.36 84.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.658 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.6 m95 -133.96 161.75 33.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.318 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -105.37 165.57 11.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.758 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -66.29 -48.49 70.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.621 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.63 -36.3 82.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.804 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.54 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 3.6 mp0 -67.58 -49.12 64.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.573 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.3 mt -58.75 -58.99 6.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.286 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.639 HH21 ' NH1' ' B' ' 142' ' ' ARG . 5.5 tpt180 -53.12 -53.14 54.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.449 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.46 ' OD1' ' CZ ' ' C' ' 245' ' ' PHE . 60.7 t0 -52.82 -50.96 62.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.436 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.589 ' O ' ' N ' ' A' ' 30' ' ' SER . 99.5 m -51.16 -48.9 61.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.726 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.407 HD11 HG23 ' A' ' 27' ' ' ILE . 96.6 mt -67.5 -25.48 33.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.505 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.64 HD21 ' N ' ' A' ' 28' ' ' ASN . 0.8 OUTLIER -93.08 -7.44 45.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 -179.462 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 14.2 p -129.02 -6.24 4.96 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.656 0.265 . . . . 0.0 110.734 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.589 ' N ' ' O ' ' A' ' 26' ' ' THR . 2.4 t -121.04 147.26 45.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.906 0.384 . . . . 0.0 110.812 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.4 p -119.97 17.18 12.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.041 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' ILE . 10.7 m-20 -75.24 90.94 2.61 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.586 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 32' ' ' ASP . 3.1 mt -38.7 -39.08 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.824 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -58.62 -59.02 6.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.38 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.449 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 13.4 mt -58.69 -40.17 82.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.139 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.6 mt -55.74 -43.53 76.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.282 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.04 -48.9 66.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.371 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.65 -45.65 93.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.435 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 71.6 m -59.79 -53.47 57.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.124 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.5 mtp85 -52.99 -42.69 65.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.241 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -57.86 -60.93 2.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.78 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -60.89 -37.87 83.71 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.559 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -57.86 -39.4 77.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.348 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -72.04 -53.17 13.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.369 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 59.6 mtt85 -45.86 -48.17 15.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.39 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 -50.5 -34.66 26.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.408 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.0 mt -90.16 -60.19 1.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.564 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -47.16 -30.78 3.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.609 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.4 t -101.5 158.51 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.459 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 50' ' ' TYR . 11.9 p90 -154.83 50.5 0.6 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.546 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.595 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.523 ' N ' ' O ' ' B' ' 117' ' ' VAL . 31.6 ttp . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -87.1 130.44 34.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.725 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 18.6 pt -132.24 153.28 38.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.461 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -111.34 145.65 38.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.72 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 98.4 t -123.27 109.65 24.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.362 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -82.33 137.25 34.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.645 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 64.4 p -103.25 -156.67 0.57 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.397 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.609 ' CD2' ' H ' ' B' ' 108' ' ' LEU . 0.4 OUTLIER -83.87 -58.4 2.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.466 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 19.8 p -61.22 0.12 0.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.58 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . 0.529 ' H ' ' C ' ' B' ' 108' ' ' LEU . . . 95.3 -13.32 66.97 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -53.97 122.04 9.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 110.46 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.1 m -104.64 142.61 34.35 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.473 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 5.7 mt -122.66 129.81 74.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.522 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 8.8 m -99.4 124.85 44.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.361 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 28.0 mt -130.91 140.68 50.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.906 0.384 . . . . 0.0 110.674 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.46 ' N ' ' CD ' ' B' ' 116' ' ' GLU . 19.3 mp0 -89.9 120.65 31.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.221 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' B' ' 101' ' ' MET . 4.1 m -142.01 -168.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.836 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.531 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 10.5 mt-10 -144.88 147.59 35.78 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.017 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.06 -9.8 0.05 OUTLIER 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.32 2.014 . . . . 0.0 112.25 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' SER . . . . . 0.504 ' H ' ' C ' ' B' ' 118' ' ' GLU . 2.4 p -104.64 11.74 33.78 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.882 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . 0.531 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 1.1 m-20 -86.35 135.37 33.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.326 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 7.9 p -81.95 134.74 35.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . 0.41 HD11 HG22 ' B' ' 123' ' ' ILE . 30.9 mm -44.93 -46.57 2.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.258 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -54.06 -36.41 63.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.15 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.61 -41.62 92.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.087 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 18.2 t -62.77 -42.75 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.027 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -58.34 -39.04 78.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.094 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.15 97.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.195 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -60.39 -50.3 74.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.286 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 79.2 mt -57.17 -47.09 84.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.372 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.01 -29.74 58.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.309 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -72.61 -40.19 66.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.45 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -71.21 -64.91 0.82 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.215 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -77.91 -116.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.501 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -167.11 10.66 0.06 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.443 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 40.4 mt -80.76 116.28 61.22 Favored Pre-proline 0 C--N 1.33 -0.273 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.2 152.84 63.23 Favored 'Trans proline' 0 C--N 1.315 -1.234 0 C-N-CA 121.446 1.431 . . . . 0.0 111.618 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -47.22 -60.97 0.68 Allowed 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.451 2.101 . . . . 0.0 111.832 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -47.04 -23.28 0.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.603 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -101.03 30.95 3.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.673 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 85.8 mt-30 -134.42 142.03 47.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.605 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . 0.639 ' NH1' HH21 ' A' ' 24' ' ' ARG . 17.1 ttm180 -151.69 114.5 4.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.295 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.7 mt -92.2 132.98 36.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.043 0.449 . . . . 0.0 110.95 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.9 mt -128.98 142.7 43.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.297 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -144.8 102.58 3.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.622 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 66.48 69.12 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.773 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 42.35 45.21 5.26 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -149.69 116.84 6.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.594 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . 0.519 ' NE2' ' O ' ' B' ' 150' ' ' LEU . 19.0 tm0? -78.76 126.46 30.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.175 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.519 ' O ' ' NE2' ' B' ' 149' ' ' GLN . 10.2 mt -79.13 117.3 20.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 0.0 110.692 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -53.36 156.01 2.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.546 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.18 -13.85 42.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -110.9 36.97 3.94 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -139.42 171.65 13.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.767 0.318 . . . . 0.0 110.37 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 155' ' ' THR . . . . . 0.491 ' N ' ' OD2' ' B' ' 158' ' ' ASP . 7.3 p -107.48 159.59 16.29 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.681 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' B' ' 159' ' ' TYR . 48.2 mt -52.61 -47.46 66.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.589 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 157' ' ' SER . . . . . 0.496 ' C ' ' H ' ' B' ' 159' ' ' TYR . 22.8 p -45.05 -31.72 1.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . 0.491 ' OD2' ' N ' ' B' ' 155' ' ' THR . 11.7 m-20 -66.96 6.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.7 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . 0.496 ' H ' ' C ' ' B' ' 157' ' ' SER . 78.4 m-85 -140.64 20.37 2.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.517 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 41.14 40.23 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 84.6 mt -82.73 105.0 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.305 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -81.53 -162.56 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.723 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -80.58 161.62 24.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.648 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 56.0 33.34 21.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.748 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 39.9 m -87.89 127.56 35.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.551 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 8.6 m -91.59 100.48 13.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.524 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.6 mt -82.09 164.01 21.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.455 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 168' ' ' HIS . . . . . 0.638 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.2 OUTLIER -115.72 100.66 8.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.282 179.802 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 66.5 tp -80.66 145.34 31.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.717 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.2 t -147.05 138.04 17.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.266 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . 0.45 ' N ' ' CD1' ' B' ' 171' ' ' LEU . 8.2 mp -82.24 110.1 17.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.503 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . 0.489 ' HE ' ' N ' ' B' ' 175' ' ' GLY . 49.5 ttt180 -62.72 112.71 2.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.302 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 10.2 mt -81.54 72.87 8.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.605 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 45.71 94.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.658 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 175' ' ' GLY . . . . . 0.489 ' N ' ' HE ' ' B' ' 172' ' ' ARG . . . -87.26 -158.22 32.25 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.649 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 201' ' ' MET . . . . . 0.534 ' N ' ' O ' ' C' ' 217' ' ' VAL . 33.1 ttp . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -89.97 115.18 27.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.728 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 11.7 pt -110.15 144.6 17.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.422 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -95.13 140.94 29.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.728 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 49.4 t -129.73 110.78 20.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.469 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -93.0 133.22 36.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.611 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 46.6 p -91.67 -163.45 1.04 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.359 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 208' ' ' LEU . . . . . 0.617 ' N ' ' CD1' ' C' ' 208' ' ' LEU . 1.6 mp -100.94 24.7 8.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.491 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 1.7 p -136.61 -0.82 2.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.533 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 94.36 27.96 11.22 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -103.19 110.84 22.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.324 . . . . 0.0 110.5 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 54.9 m -103.07 105.17 15.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.611 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 213' ' ' ILE . . . . . 0.44 HG23 ' H ' ' C' ' 214' ' ' THR . 0.6 OUTLIER -88.31 -179.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.152 179.794 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 214' ' ' THR . . . . . 0.44 ' H ' HG23 ' C' ' 213' ' ' ILE . 98.0 m -142.18 96.12 2.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.067 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 215' ' ' LEU . . . . . 0.582 ' CD2' ' N ' ' C' ' 215' ' ' LEU . 2.9 mm? -92.71 128.73 38.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.96 0.409 . . . . 0.0 110.967 -179.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -87.07 121.32 29.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.011 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 217' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' C' ' 201' ' ' MET . 33.7 m -149.64 -165.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 0.0 110.96 -179.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 218' ' ' GLU . . . . . 0.533 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 2.0 mt-10 -141.08 148.76 53.16 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.719 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.02 -27.13 4.03 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.412 2.075 . . . . 0.0 112.471 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.18 13.59 12.88 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 121.009 -0.277 . . . . 0.0 111.024 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 221' ' ' ASP . . . . . 0.533 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 1.2 m-20 -86.14 135.76 33.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.44 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 222' ' ' THR . . . . . 0.527 ' OG1' ' ND2' ' C' ' 225' ' ' ASN . 7.2 p -83.71 133.57 34.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.721 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 223' ' ' ILE . . . . . 0.421 HD11 HG21 ' C' ' 223' ' ' ILE . 28.5 mm -40.55 -42.47 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.455 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -56.21 -45.12 80.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.407 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 225' ' ' ASN . . . . . 0.576 ' N ' HD21 ' C' ' 225' ' ' ASN . 0.8 OUTLIER -60.72 -39.97 90.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.07 179.609 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 11.9 t -60.86 -44.55 97.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.074 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 227' ' ' LYS . . . . . 0.437 ' O ' ' OE1' ' C' ' 241' ' ' GLN . 74.1 mttt -56.74 -43.4 80.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.117 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -58.54 -44.17 89.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.232 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -58.96 -44.61 91.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.373 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 20.9 mt -61.49 -34.11 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.22 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -65.61 -35.56 81.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.218 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -72.34 -25.61 61.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.559 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 44.8 mmtt -83.6 -65.79 0.97 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.505 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -81.76 -88.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.501 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 159.98 8.64 0.05 OUTLIER Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 236' ' ' ILE . . . . . 0.52 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 49.2 mt -77.05 130.4 75.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -54.61 146.1 55.69 Favored 'Trans proline' 0 C--N 1.315 -1.225 0 C-N-CA 121.673 1.582 . . . . 0.0 111.632 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -51.96 -34.79 57.96 Favored 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 122.134 1.889 . . . . 0.0 111.75 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 239' ' ' ASP . . . . . 0.515 ' OD1' ' NH2' ' C' ' 272' ' ' ARG . 32.2 t70 -67.08 -44.74 79.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.656 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -82.1 39.81 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.686 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 241' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 78.7 mt-30 -134.49 73.7 1.5 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.749 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 242' ' ' ARG . . . . . 0.499 ' NE ' ' OE1' ' C' ' 249' ' ' GLN . 20.5 ttm180 -89.99 119.17 30.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.177 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 15.8 mt -96.93 132.99 42.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.016 0.436 . . . . 0.0 110.895 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.6 mt -128.2 123.07 59.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.11 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 245' ' ' PHE . . . . . 0.46 ' CZ ' ' OD1' ' A' ' 25' ' ' ASP . 57.5 t80 -114.54 76.52 1.0 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.942 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 246' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' C' ' 248' ' ' LYS . . . 71.78 89.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.685 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 247' ' ' GLY . . . . . 0.444 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 39.41 27.19 0.08 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 248' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' C' ' 246' ' ' ALA . 16.2 mmtm -131.82 97.5 4.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.83 0.348 . . . . 0.0 110.505 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 249' ' ' GLN . . . . . 0.499 ' OE1' ' NE ' ' C' ' 242' ' ' ARG . 9.3 tt0 -73.13 125.95 28.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.27 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 11.4 mt -80.83 131.65 35.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.729 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -79.31 159.93 27.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.439 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.94 -20.61 38.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.743 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -102.47 38.35 3.24 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -139.14 174.18 10.78 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 33.0 p -115.65 164.77 13.85 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.911 0.386 . . . . 0.0 110.812 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 79.8 mt -60.59 -39.05 86.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.684 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 257' ' ' SER . . . . . . . . . . . . . 5.0 t -58.15 -44.02 87.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.728 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -47.71 -38.4 15.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.659 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -93.59 23.47 4.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.757 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 30.9 t30 46.64 26.05 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 84.2 mt -73.6 102.9 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.349 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -85.15 -157.04 0.28 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -82.86 161.81 21.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.783 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 50.23 32.52 6.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.547 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 38.7 m -91.89 131.47 37.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.614 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 25.7 m -77.83 147.65 35.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.289 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 9.9 mt -139.23 123.31 17.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.652 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 268' ' ' HIS . . . . . 0.791 ' HD1' ' H ' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -78.84 105.57 10.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.235 179.816 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 61.2 tp -83.11 144.53 29.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.889 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 2.1 t -144.36 156.09 15.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.248 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 271' ' ' LEU . . . . . 0.44 ' CD1' ' N ' ' C' ' 271' ' ' LEU . 7.1 mp -99.1 92.72 5.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.328 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 272' ' ' ARG . . . . . 0.515 ' NH2' ' OD1' ' C' ' 239' ' ' ASP . 29.1 ttp180 -46.19 112.09 0.44 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.637 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 273' ' ' LEU . . . . . 0.464 ' CD2' ' HE2' ' D' ' 344' ' ' HIS . 33.8 mt -82.39 137.23 34.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.498 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 75.4 mtt85 -66.8 -171.5 0.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.545 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . 161.76 56.98 0.02 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 89.4 m . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.575 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.697 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 11.6 t -155.41 -158.09 0.8 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.904 0.383 . . . . 0.0 110.471 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 311' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -163.79 115.7 1.4 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.592 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 312' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -68.69 -174.02 0.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.594 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -91.38 133.3 35.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.507 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -81.3 92.96 6.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.591 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 11.1 mt -95.2 44.38 1.09 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.544 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 59.8 p -83.23 3.49 30.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.694 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -146.17 72.86 1.31 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.603 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -130.18 167.02 19.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.406 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -114.73 165.55 12.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.732 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 320' ' ' TYR . . . . . 0.406 ' OH ' ' NH1' ' D' ' 324' ' ' ARG . 13.2 t80 -61.46 -48.91 78.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.506 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 321' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' D' ' 325' ' ' ASP . . . -61.9 -43.91 97.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.761 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 322' ' ' GLU . . . . . 0.417 ' O ' ' OG1' ' D' ' 326' ' ' THR . 94.1 mt-10 -57.34 -54.92 41.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.718 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 14.5 mt -57.33 -59.41 5.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.773 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 324' ' ' ARG . . . . . 0.473 ' O ' ' ND2' ' D' ' 328' ' ' ASN . 8.7 tpt180 -55.43 -50.1 70.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.7 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 325' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' D' ' 329' ' ' THR . 19.6 t70 -58.42 -48.54 80.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.73 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 326' ' ' THR . . . . . 0.527 ' O ' ' N ' ' D' ' 330' ' ' SER . 64.7 m -55.4 -42.45 74.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.574 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 327' ' ' ILE . . . . . 0.411 HG22 HD11 ' D' ' 327' ' ' ILE . 82.5 mt -72.41 -35.66 52.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 328' ' ' ASN . . . . . 0.632 ' N ' HD21 ' D' ' 328' ' ' ASN . 0.8 OUTLIER -81.69 -20.55 39.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.939 -179.688 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.501 ' N ' ' O ' ' D' ' 325' ' ' ASP . 72.7 p -105.63 -51.03 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.848 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 330' ' ' SER . . . . . 0.527 ' N ' ' O ' ' D' ' 326' ' ' THR . 1.0 OUTLIER -72.6 -179.52 3.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.012 0.434 . . . . 0.0 110.939 -179.572 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 331' ' ' CYS . . . . . 0.444 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 9.1 p -149.96 12.65 0.77 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.199 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -73.4 93.73 1.98 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.623 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 2.9 mt -38.96 -40.1 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.731 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -57.42 -55.96 28.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.268 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 335' ' ' LEU . . . . . 0.488 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 10.1 mt -60.81 -37.79 83.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.145 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 92.5 mt -56.65 -43.27 80.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.167 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -68.29 -49.03 63.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.435 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.98 96.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.458 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 339' ' ' CYS . . . . . 0.488 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 72.2 m -59.48 -53.34 59.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.225 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 14.0 mtp85 -56.07 -39.18 71.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.366 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -58.93 -52.95 63.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.664 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 342' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -71.2 -36.41 71.91 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.505 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -59.31 -35.41 73.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.351 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 344' ' ' HIS . . . . . 0.464 ' HE2' ' CD2' ' C' ' 273' ' ' LEU . 34.3 m170 -79.38 -52.77 7.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.241 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.08 -42.37 13.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.044 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 9.0 mtp85 -59.29 -32.67 70.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.368 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' D' ' 344' ' ' HIS . 92.4 mt -80.61 -35.49 33.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.528 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -62.02 -50.22 72.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.627 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 349' ' ' VAL . . . . . . . . . . . . . 10.0 p -84.06 125.86 40.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.517 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 350' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -172.95 100.79 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 351' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.564 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.3 t -65.81 93.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 0.0 110.611 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -96.01 113.97 25.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.516 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -128.97 -156.82 0.78 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.431 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -137.36 135.89 37.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.448 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -79.23 92.79 5.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.619 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -102.67 38.35 1.73 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.413 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.8 t -78.15 11.18 2.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.709 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.7 pttt -161.23 81.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 0.0 110.758 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -133.49 163.69 28.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.142 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -105.05 157.75 17.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.609 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 29.3 t80 -59.68 -47.53 85.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.51 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.78 -41.72 98.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.544 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -60.01 -55.67 31.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.519 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.8 mt -54.38 -59.66 4.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.324 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.665 ' NH1' HD22 ' A' ' 28' ' ' ASN . 9.1 tpt85 -54.55 -52.68 61.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.322 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' THR . 5.9 t70 -52.38 -51.57 58.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.32 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.545 ' O ' ' N ' ' A' ' 30' ' ' SER . 74.6 m -52.1 -45.09 64.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.346 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.5 mt -70.32 -22.76 24.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.413 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.68 HD21 ' N ' ' A' ' 28' ' ' ASN . 0.7 OUTLIER -99.29 -2.73 35.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.837 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 25' ' ' ASP . 21.4 p -133.59 -4.94 2.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.988 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.545 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.6 t -122.73 145.97 47.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.941 0.4 . . . . 0.0 110.831 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.597 ' SG ' ' CG ' ' B' ' 168' ' ' HIS . 14.5 t -120.66 30.08 7.1 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.351 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.5 94.37 9.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.355 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.4 mt -39.79 -41.17 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.863 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -57.22 -59.15 5.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.454 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.425 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 13.0 mt -57.84 -46.7 84.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.976 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.8 mt -50.73 -42.8 57.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.329 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.48 -48.98 70.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.338 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.51 -46.41 90.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.379 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 52.9 m -59.81 -53.56 56.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.239 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.2 mtp85 -52.58 -41.43 63.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.311 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -59.73 -62.82 1.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.633 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -59.86 -37.99 80.86 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.694 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -54.85 -51.9 64.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.714 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.488 ' HE2' ' CD2' ' B' ' 173' ' ' LEU . 11.5 m-70 -64.97 -47.58 77.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.456 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -45.64 -47.48 14.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.079 0.466 . . . . 0.0 109.836 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -55.82 -34.93 65.81 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.424 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 44' ' ' HIS . 6.7 mp -76.85 -28.3 55.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.178 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.9 tttp -72.79 -66.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.628 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.5 p -88.48 166.16 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.409 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.492 ' N ' ' CD1' ' A' ' 50' ' ' TYR . 6.9 p90 -151.18 74.48 1.15 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.533 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.617 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.541 ' N ' ' O ' ' B' ' 117' ' ' VAL . 32.0 ttp . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -111.97 144.44 41.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.439 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 18.5 pt -146.98 145.86 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.716 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -99.67 153.28 19.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.614 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 16.7 t -136.15 107.01 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.37 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -95.25 133.93 38.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.537 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 34.6 p -96.11 -172.84 2.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.44 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.624 ' CD2' ' H ' ' B' ' 108' ' ' LEU . 0.5 OUTLIER -84.05 23.27 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.396 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 15.4 p -136.54 8.09 3.08 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.527 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.96 7.36 88.01 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.524 ' HZ2' ' CD ' ' B' ' 134' ' ' GLU . 76.5 tttt -79.36 114.9 18.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.75 0.31 . . . . 0.0 110.504 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 21.7 m -99.64 144.56 28.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.59 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 1.2 mt -133.59 125.59 50.18 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.449 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 8.3 m -92.53 99.66 12.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.57 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 10.8 mp -99.31 145.91 26.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.619 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -102.39 122.47 44.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.169 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . 0.541 ' O ' ' N ' ' B' ' 101' ' ' MET . 14.3 m -147.49 -165.87 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.938 0.399 . . . . 0.0 110.828 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -144.29 149.18 43.87 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.027 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -47.25 -15.79 0.3 Allowed 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.579 2.186 . . . . 0.0 112.642 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' SER . . . . . 0.436 ' H ' ' HG ' ' B' ' 120' ' ' SER . 1.4 p -100.25 13.79 33.11 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 121.064 -0.255 . . . . 0.0 111.205 -179.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -86.65 136.43 33.04 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.424 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' THR . . . . . 0.523 ' HG1' ' H ' ' B' ' 125' ' ' ASN . 19.7 p -82.71 130.87 35.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.64 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 31.5 mm -40.68 -45.0 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.452 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -55.69 -39.29 70.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.113 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.525 ' C ' HD21 ' B' ' 125' ' ' ASN . 0.1 OUTLIER -63.74 -38.58 91.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.097 179.487 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 27.0 t -64.18 -45.59 95.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.119 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . 0.664 ' HZ2' ' H ' ' B' ' 143' ' ' LEU . 42.2 mttm -56.45 -38.23 71.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.101 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.76 94.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.255 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -60.09 -45.25 93.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.419 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 66.2 mt -62.5 -46.37 96.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.327 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . 0.431 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.5 OUTLIER -55.18 -30.26 59.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.335 179.833 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -78.56 -24.25 45.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.506 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -82.58 -60.4 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.556 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . 0.524 ' CD ' ' HZ2' ' B' ' 111' ' ' LYS . 15.7 mm-40 -86.55 -107.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.538 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -171.39 11.91 0.04 OUTLIER Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 27.3 mt -85.79 115.25 60.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.15 154.57 56.63 Favored 'Trans proline' 0 C--N 1.314 -1.242 0 C-N-CA 121.485 1.457 . . . . 0.0 111.63 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -46.71 -64.13 0.27 Allowed 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.454 2.102 . . . . 0.0 111.864 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' B' ' 139' ' ' ASP . 11.0 t0 -44.57 -21.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.691 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.439 ' N ' ' C ' ' B' ' 138' ' ' PRO . 75.9 mt-30 -104.37 33.71 3.4 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.611 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' B' ' 138' ' ' PRO . 70.7 mt-30 -134.34 158.94 42.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.474 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . 0.666 HH12 ' ND2' ' A' ' 28' ' ' ASN . 20.4 ttt180 -170.26 108.32 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.231 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.664 ' H ' ' HZ2' ' B' ' 127' ' ' LYS . 15.2 mt -89.96 130.77 36.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.116 0.484 . . . . 0.0 111.035 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.7 mt -125.82 141.93 44.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.149 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -149.35 105.2 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.779 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 69.7 68.97 0.24 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.688 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 39.92 32.36 0.35 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -136.8 118.08 14.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.773 0.321 . . . . 0.0 110.668 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . 0.581 HE22 ' NH2' ' B' ' 142' ' ' ARG . 8.4 tt0 -79.61 127.89 32.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.07 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 12.9 mt -78.19 114.95 17.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.362 . . . . 0.0 110.768 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . 0.574 ' H ' ' HH ' ' B' ' 159' ' ' TYR . 50.1 mt-10 -57.51 160.77 3.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.697 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -85.75 -29.56 23.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.709 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -95.13 38.17 3.2 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 14.0 mmt85 -139.48 174.3 10.66 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 28.5 p -111.65 172.4 6.92 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.873 0.368 . . . . 0.0 110.793 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.6 -46.84 77.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.609 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 157' ' ' SER . . . . . 0.519 ' C ' ' H ' ' B' ' 159' ' ' TYR . 13.0 p -52.94 -32.25 44.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -68.98 10.94 0.23 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.761 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . 0.574 ' HH ' ' H ' ' B' ' 151' ' ' GLU . 62.0 m-85 -140.67 15.61 2.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.642 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . 0.406 ' N ' HD21 ' B' ' 160' ' ' ASN . 1.6 m-80 53.46 27.49 6.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.702 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 93.0 mt -79.17 96.06 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.43 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -79.95 -157.39 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.652 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 6.7 ptp85 -82.26 160.29 22.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.713 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 55.46 28.37 11.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.645 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 39.6 m -82.67 130.07 35.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.589 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 9.9 m -84.85 114.95 22.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.493 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 11.7 mt -102.34 128.67 48.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.944 0.402 . . . . 0.0 110.699 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 168' ' ' HIS . . . . . 0.687 ' N ' ' HD1' ' B' ' 168' ' ' HIS . 0.2 OUTLIER -86.89 103.44 15.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.129 179.708 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . 0.403 HD12 ' H ' ' B' ' 170' ' ' VAL . 54.9 tp -83.01 136.45 34.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.899 0.38 . . . . 0.0 110.855 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . 0.403 ' H ' HD12 ' B' ' 169' ' ' LEU . 2.3 t -139.93 139.57 37.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.326 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . 0.436 ' N ' ' CD1' ' B' ' 171' ' ' LEU . 8.4 mp -79.08 109.76 13.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.636 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -60.54 110.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.556 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . 0.488 ' CD2' ' HE2' ' A' ' 44' ' ' HIS . 13.2 mt -87.82 47.14 1.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.502 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' B' ' 173' ' ' LEU . 94.6 mtt180 56.51 158.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.543 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . -178.06 -128.38 1.16 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 201' ' ' MET . . . . . . . . . . . . . 1.3 ptt? . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -92.84 110.21 21.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.574 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 26.3 pt -102.2 154.56 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.651 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -100.46 149.96 23.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.598 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 68.8 t -136.94 106.84 5.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.263 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -91.48 135.18 34.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.605 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 207' ' ' THR . . . . . 0.463 ' O ' ' N ' ' C' ' 210' ' ' GLY . 32.8 p -102.48 175.82 5.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.446 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 208' ' ' LEU . . . . . 0.723 ' CD2' ' H ' ' C' ' 208' ' ' LEU . 0.0 OUTLIER -46.55 -55.41 7.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.236 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 6.4 p -62.0 -8.24 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.585 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 210' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' C' ' 207' ' ' THR . . . 89.18 13.37 62.05 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -70.29 117.65 12.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 110.541 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 10.3 m -90.08 138.97 31.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.652 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 1.8 mt -132.88 125.18 51.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.5 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 20.5 m -89.69 130.89 35.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.284 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 32.8 mt -130.22 123.35 29.97 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.844 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -80.81 79.54 7.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.273 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 217' ' ' VAL . . . . . . . . . . . . . 15.5 m -104.4 176.43 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.965 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 218' ' ' GLU . . . . . 0.482 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 3.3 mm-40 -120.62 176.6 1.77 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.614 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -75.11 -32.89 4.89 Favored 'Trans proline' 0 C--N 1.311 -1.431 0 C-N-CA 122.376 2.05 . . . . 0.0 112.015 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 2.1 p -80.43 -8.37 59.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.517 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 221' ' ' ASP . . . . . 0.482 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 19.6 m-20 -60.72 133.71 56.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.426 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 18.2 p -86.58 140.87 29.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.732 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 223' ' ' ILE . . . . . 0.418 HD11 HG23 ' C' ' 223' ' ' ILE . 21.7 mm -44.48 -51.91 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.466 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -50.08 -38.65 39.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.279 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 225' ' ' ASN . . . . . 0.493 ' C ' HD21 ' C' ' 225' ' ' ASN . 0.2 OUTLIER -61.93 -48.21 81.46 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.435 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 42.8 t -55.18 -46.93 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -53.86 -34.51 59.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.79 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -64.9 -44.3 90.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.97 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -59.03 -39.78 83.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.076 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 18.2 mt -69.49 -25.4 28.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.103 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -71.6 -33.82 69.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.208 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -76.65 -33.42 58.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.468 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 20.7 mmtm -76.25 -60.9 2.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.456 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -83.85 -90.25 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.513 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 158.54 10.18 0.05 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 236' ' ' ILE . . . . . 0.525 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 30.1 mt -80.33 130.6 64.88 Favored Pre-proline 0 C--N 1.33 -0.263 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -55.38 144.79 70.87 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 121.707 1.605 . . . . 0.0 111.555 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -52.61 -31.66 50.7 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 122.075 1.85 . . . . 0.0 111.775 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 239' ' ' ASP . . . . . 0.499 ' C ' ' H ' ' C' ' 241' ' ' GLN . 16.8 t0 -70.78 -53.79 14.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.664 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -71.76 41.63 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.747 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 241' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 60.5 mt-30 -134.51 162.6 31.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 242' ' ' ARG . . . . . . . . . . . . . 29.5 ttm-85 -170.34 144.59 2.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.164 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 15.3 mt -127.08 138.19 53.16 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.165 0.507 . . . . 0.0 111.066 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 2.1 mt -129.76 121.12 51.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.96 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 245' ' ' PHE . . . . . 0.434 ' CE1' ' OD2' ' A' ' 25' ' ' ASP . 70.4 t80 -108.84 72.04 0.8 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.876 0.37 . . . . 0.0 111.064 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 62.07 87.07 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.004 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 247' ' ' GLY . . . . . 0.647 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 54.92 24.48 34.43 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 23.3 mmtm -129.78 89.71 2.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.69 0.281 . . . . 0.0 110.57 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -71.88 113.6 9.09 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 9.7 mt -76.81 131.14 38.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.944 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -86.78 158.46 19.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.428 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.87 -0.92 29.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.939 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -123.03 40.33 2.03 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 36.9 mmt-85 -139.52 178.31 7.3 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 255' ' ' THR . . . . . 0.482 ' HG1' ' H ' ' C' ' 258' ' ' ASP . 26.5 p -120.92 157.76 29.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.585 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.47 -12.29 14.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.633 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 257' ' ' SER . . . . . . . . . . . . . 33.0 t -85.04 -40.92 16.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.406 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 258' ' ' ASP . . . . . 0.482 ' H ' ' HG1' ' C' ' 255' ' ' THR . 17.2 m-20 -49.56 -41.94 42.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.496 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -85.9 -2.47 58.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.604 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 2.0 m120 64.79 38.77 6.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 87.5 mt -81.12 111.34 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.338 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 262' ' ' GLN . . . . . 0.417 ' O ' ' OG ' ' C' ' 265' ' ' SER . 24.8 mt-30 -83.04 -160.7 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -85.68 160.66 19.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.951 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 54.97 26.71 8.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.865 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 265' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' C' ' 262' ' ' GLN . 1.8 m -83.52 137.8 33.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.39 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 4.3 m -84.48 116.74 23.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.652 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 4.7 mp -108.99 124.53 50.85 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.366 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 268' ' ' HIS . . . . . 0.725 ' N ' ' HD1' ' C' ' 268' ' ' HIS . 0.1 OUTLIER -84.04 113.28 20.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.344 179.816 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 11.5 tp -84.09 142.15 30.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.873 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 1.9 t -147.0 137.28 17.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.13 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 271' ' ' LEU . . . . . 0.618 ' CD2' ' N ' ' C' ' 271' ' ' LEU . 0.3 OUTLIER -92.69 109.25 20.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.703 -179.669 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -63.3 113.77 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.555 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 273' ' ' LEU . . . . . 0.523 ' O ' ' NH1' ' D' ' 324' ' ' ARG . 13.4 mt -80.32 126.81 31.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.544 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -97.09 -163.71 1.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.457 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . -160.43 170.6 36.46 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 12.3 m . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.083 -0.96 . . . . 0.0 110.578 -179.957 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.65 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 310' ' ' THR . . . . . 0.407 ' O ' ' C ' ' D' ' 311' ' ' LYS . 51.7 m -155.21 96.47 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.722 0.296 . . . . 0.0 110.476 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 311' ' ' LYS . . . . . 0.446 ' O ' ' O ' ' D' ' 312' ' ' LYS . 76.5 mttt 38.25 79.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.676 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 312' ' ' LYS . . . . . 0.446 ' O ' ' O ' ' D' ' 311' ' ' LYS . 16.4 mmtp 45.08 -173.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.515 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -93.42 130.87 39.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.591 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -79.21 92.79 5.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.511 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 14.0 mt -90.64 40.44 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.617 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 25.0 t -90.75 17.02 8.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.666 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -147.87 43.01 1.06 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.59 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 17.5 m95 -112.13 179.07 4.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.604 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -132.42 168.37 18.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.503 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 320' ' ' TYR . . . . . 0.424 ' CD1' ' C ' ' D' ' 320' ' ' TYR . 15.2 t80 -59.17 -47.3 85.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.576 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -58.31 -52.03 67.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.834 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 322' ' ' GLU . . . . . 0.431 ' O ' ' OG1' ' D' ' 326' ' ' THR . 83.7 mt-10 -56.33 -56.26 23.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.851 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 14.0 mt -56.79 -56.13 25.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.7 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 324' ' ' ARG . . . . . 0.523 ' NH1' ' O ' ' C' ' 273' ' ' LEU . 6.1 tpt180 -53.04 -46.24 68.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.566 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 325' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' D' ' 329' ' ' THR . 15.7 m-20 -62.6 -48.11 80.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.483 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 326' ' ' THR . . . . . 0.512 ' O ' ' N ' ' D' ' 330' ' ' SER . 6.5 m -53.07 -45.84 68.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.756 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 91.3 mt -75.57 -24.78 17.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 328' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' D' ' 324' ' ' ARG . 2.0 m-80 -95.9 -0.79 50.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.06 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.467 ' N ' ' O ' ' D' ' 325' ' ' ASP . 57.8 p -136.72 -41.79 0.61 Allowed 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 121.048 -0.261 . . . . 0.0 111.349 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 330' ' ' SER . . . . . 0.512 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.5 OUTLIER -76.32 168.58 19.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.177 0.513 . . . . 0.0 111.408 -179.2 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 331' ' ' CYS . . . . . 0.647 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 27.8 p -146.77 88.44 1.76 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.431 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -161.61 100.92 1.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.377 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 1.9 mt -38.8 -43.63 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.817 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -55.78 -58.97 5.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.442 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 335' ' ' LEU . . . . . 0.484 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 9.7 mt -60.5 -52.65 64.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.158 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 28.3 mt -50.59 -46.65 58.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.536 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.35 78.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.467 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.22 -42.23 96.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.341 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 339' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 69.8 m -58.34 -50.74 72.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.289 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 340' ' ' ARG . . . . . 0.405 ' NH2' ' CE1' ' D' ' 344' ' ' HIS . 19.0 mtp-105 -61.8 -38.87 89.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.526 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -56.65 -57.41 12.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.684 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 342' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -63.42 -33.08 74.78 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.618 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -63.21 -40.01 96.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.246 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 344' ' ' HIS . . . . . 0.405 ' CE1' ' NH2' ' D' ' 340' ' ' ARG . 13.4 m170 -70.78 -50.33 36.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.199 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -51.09 -47.65 61.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.429 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 69.1 mtt-85 -54.15 -39.96 67.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 15.3 mt -67.69 -58.88 3.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.602 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -44.98 -46.81 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.581 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 349' ' ' VAL . . . . . . . . . . . . . 9.7 p -86.24 127.55 40.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.558 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 350' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -172.63 43.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.571 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 351' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.561 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.631 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.95 119.09 3.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 110.566 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -97.59 -166.54 1.4 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.475 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt -86.44 177.46 7.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.555 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -91.36 133.66 35.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.547 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -79.75 92.71 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.413 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.3 mt -107.6 45.28 1.01 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.529 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.0 t -84.6 3.51 36.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.62 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -147.46 71.49 1.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.67 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -129.12 165.47 21.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.412 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.87 169.21 9.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.586 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.522 ' OH ' ' NH1' ' A' ' 24' ' ' ARG . 37.5 t80 -65.65 -47.09 76.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.487 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.86 -35.92 79.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.739 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -68.01 -54.96 14.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.697 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.2 mt -56.25 -58.39 8.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.613 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.522 ' NH1' ' OH ' ' A' ' 20' ' ' TYR . 6.8 tpt180 -53.22 -53.37 51.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.486 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.472 ' OD1' ' CZ ' ' C' ' 245' ' ' PHE . 46.4 t0 -53.41 -50.77 64.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.47 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.573 ' O ' ' N ' ' A' ' 30' ' ' SER . 86.8 m -52.14 -50.1 62.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.594 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.434 HG23 HD12 ' A' ' 27' ' ' ILE . 96.5 mt -66.75 -23.89 31.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.605 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.51 ' OD1' ' NH1' ' B' ' 142' ' ' ARG . 1.9 m-80 -95.15 -6.53 41.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.062 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 19.6 p -130.12 -5.96 4.4 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.189 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.573 ' N ' ' O ' ' A' ' 26' ' ' THR . 6.3 t -111.3 156.92 20.8 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.002 0.43 . . . . 0.0 111.06 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.42 ' SG ' ' C ' ' B' ' 147' ' ' GLY . 36.5 m -132.67 33.89 3.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.392 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -103.83 100.56 10.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.669 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.4 mt -43.7 -35.53 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.55 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -61.52 -58.99 5.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.279 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.488 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 11.4 mt -56.77 -44.32 81.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.928 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -54.46 -42.67 70.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.469 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.27 -49.11 70.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.567 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.49 92.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.43 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.488 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 78.3 m -57.19 -53.61 56.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.219 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.1 mtp-105 -54.56 -45.45 73.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.316 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -53.22 -62.69 1.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.745 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 43' ' ' PHE . 3.8 pt-20 -61.07 -42.05 97.78 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.506 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.432 ' N ' ' CG ' ' A' ' 42' ' ' GLU . 16.4 t80 -52.57 -43.0 64.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.915 0.388 . . . . 0.0 110.145 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -68.84 -45.25 71.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.313 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 49' ' ' VAL . 29.2 mtt85 -49.52 -52.74 27.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.369 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' A' ' 50' ' ' TYR . 1.8 mpt_? -45.94 -34.11 3.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.241 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.1 mt -85.88 -60.29 2.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.474 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -46.61 -46.14 19.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.59 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 45' ' ' ARG . 7.6 p -144.09 160.06 15.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.614 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.434 ' O ' ' O ' ' A' ' 46' ' ' ARG . 47.7 t80 55.45 107.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.564 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.465 ' OXT' ' ND1' ' A' ' 51' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.595 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -96.36 120.0 35.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.65 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 17.5 pt -109.33 147.54 13.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.641 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -99.71 141.75 32.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.647 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 94.7 t -127.49 113.73 33.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.412 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -92.74 136.83 32.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.769 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 38.1 p -90.83 -150.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.374 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.598 ' CD2' ' H ' ' B' ' 108' ' ' LEU . 0.4 OUTLIER -87.2 -52.91 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.495 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 19.3 p -56.26 -47.56 78.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.507 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 142.66 5.69 0.77 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -72.29 133.94 45.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.678 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.9 m -108.36 145.78 33.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.464 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 3.8 mt -130.65 128.6 63.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.642 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 21.9 m -97.55 115.18 27.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.301 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 33.1 mt -121.29 134.93 55.17 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.873 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -80.81 127.44 32.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.142 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 15.7 m -147.7 179.77 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.371 . . . . 0.0 110.918 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.519 ' C ' ' H ' ' B' ' 120' ' ' SER . 36.0 mt-10 -135.97 148.85 66.61 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.211 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -48.56 -7.01 0.05 OUTLIER 'Trans proline' 0 C--N 1.31 -1.476 0 C-N-CA 122.626 2.218 . . . . 0.0 112.521 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' SER . . . . . 0.519 ' H ' ' C ' ' B' ' 118' ' ' GLU . 2.6 p -102.48 -19.49 14.89 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.992 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . 0.485 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 9.2 m-20 -53.58 138.48 34.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.981 0.419 . . . . 0.0 110.74 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' THR . . . . . 0.446 ' O ' ' N ' ' B' ' 125' ' ' ASN . 17.8 p -90.4 134.02 34.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.538 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 27.3 mm -40.96 -45.34 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.549 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -55.46 -41.95 73.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.232 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.693 HD21 ' NZ ' ' B' ' 129' ' ' LYS . 19.1 t30 -61.37 -37.49 83.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.159 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 27.2 t -64.56 -52.44 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.99 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -49.75 -38.62 34.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.085 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.29 -45.25 88.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.218 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.693 ' NZ ' HD21 ' B' ' 125' ' ' ASN . 42.9 mttp -55.92 -41.19 74.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.141 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 6.1 mt -66.75 -37.53 79.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.245 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -62.01 -25.31 67.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.344 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -84.52 -31.72 24.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.687 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -78.76 -65.39 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.628 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -80.47 -105.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.671 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -176.52 16.44 0.04 OUTLIER Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.517 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 23.5 mt -93.49 112.0 54.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -63.46 154.56 67.8 Favored 'Trans proline' 0 C--N 1.313 -1.293 0 C-N-CA 121.59 1.527 . . . . 0.0 111.794 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.53 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -46.84 -66.05 0.16 Allowed 'Trans proline' 0 C--N 1.31 -1.499 0 C-N-CA 122.593 2.195 . . . . 0.0 112.016 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -42.55 -20.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.696 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' B' ' 138' ' ' PRO . 27.6 mt-30 -110.88 35.33 3.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.542 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' B' ' 138' ' ' PRO . 54.2 mt-30 -134.34 168.03 19.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.501 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . 0.678 HH21 ' NE2' ' B' ' 149' ' ' GLN . 16.2 ttt85 -170.21 130.18 0.93 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.179 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 16.3 mt -112.39 133.54 54.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.046 0.451 . . . . 0.0 110.954 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.6 mt -127.16 134.18 66.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.238 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -158.52 144.96 17.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.503 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 69.6 19.31 7.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . 0.42 ' C ' ' SG ' ' A' ' 31' ' ' CYS . . . 76.66 21.41 74.8 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -145.13 152.09 39.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.748 0.309 . . . . 0.0 110.753 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . 0.678 ' NE2' HH21 ' B' ' 142' ' ' ARG . 23.3 tt0 -80.07 142.74 34.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.328 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 15.8 mt -91.42 141.69 28.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.831 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -79.1 160.9 26.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.44 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.85 -24.39 26.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -102.91 41.74 2.06 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -139.72 168.71 19.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.732 0.301 . . . . 0.0 110.355 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 6.2 p -108.79 161.84 14.74 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.723 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 57.0 mt -59.32 -31.84 69.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 157' ' ' SER . . . . . 0.533 ' C ' ' H ' ' B' ' 159' ' ' TYR . 6.9 t -65.76 -32.23 73.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.991 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -70.62 14.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.858 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . 0.533 ' H ' ' C ' ' B' ' 157' ' ' SER . 60.6 m-85 -140.65 7.66 2.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.603 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 59.61 27.35 16.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.566 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 95.8 mt -77.23 107.49 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.509 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -86.45 -169.71 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.616 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -73.44 160.36 31.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.804 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 56.66 29.24 15.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.696 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 33.0 m -81.9 129.22 34.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.432 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 3.9 m -91.99 106.58 18.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.68 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 2.1 mp -98.31 153.43 18.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.627 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 168' ' ' HIS . . . . . 0.653 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -98.77 123.59 43.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.054 179.778 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 21.3 tp -101.48 118.51 37.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.442 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 1.7 t -123.92 141.0 45.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.33 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . 0.456 ' N ' ' CD1' ' B' ' 171' ' ' LEU . 8.3 mp -82.31 113.8 20.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.637 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -62.96 102.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.53 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 18.3 mt -76.62 174.65 10.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.451 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 31.0 mtm180 -152.78 138.91 18.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.525 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . -165.67 9.75 0.07 OUTLIER Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.942 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 201' ' ' MET . . . . . 0.527 ' N ' ' O ' ' C' ' 217' ' ' VAL . 28.9 ttp . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 202' ' ' GLN . . . . . 0.411 ' N ' ' CG ' ' C' ' 201' ' ' MET . 62.7 mt-30 -129.96 129.91 44.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.458 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 6.4 pt -136.12 151.19 28.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.76 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -98.09 153.89 18.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.369 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 77.5 t -137.41 102.47 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.233 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 206' ' ' LYS . . . . . 0.519 ' NZ ' ' OG1' ' C' ' 212' ' ' THR . 16.6 mttp -86.07 135.27 33.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.551 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 40.6 p -101.54 -172.05 2.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.329 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 208' ' ' LEU . . . . . 0.587 ' N ' ' CD2' ' C' ' 208' ' ' LEU . 2.1 mm? -75.4 -28.72 59.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.256 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 9.8 p -82.11 4.08 24.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.53 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 78.66 28.01 55.85 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -93.53 115.71 28.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.74 0.305 . . . . 0.0 110.651 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 212' ' ' THR . . . . . 0.519 ' OG1' ' NZ ' ' C' ' 206' ' ' LYS . 17.1 m -95.61 107.83 20.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.461 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 1.4 mt -99.65 125.17 53.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.67 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 4.1 m -93.38 107.14 19.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.088 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 19.6 mt -110.61 143.76 40.53 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.959 0.409 . . . . 0.0 111.093 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 216' ' ' GLU . . . . . 0.457 ' N ' ' CD ' ' C' ' 216' ' ' GLU . 5.3 mp0 -96.71 126.75 42.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.173 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 217' ' ' VAL . . . . . 0.527 ' O ' ' N ' ' C' ' 201' ' ' MET . 16.5 m -147.61 -166.71 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.73 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 218' ' ' GLU . . . . . 0.521 ' OE2' ' N ' ' C' ' 201' ' ' MET . 36.5 mm-40 -143.9 148.95 44.36 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.064 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -47.83 -34.89 22.96 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.451 2.101 . . . . 0.0 112.434 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 220' ' ' SER . . . . . 0.441 ' H ' ' HG ' ' C' ' 220' ' ' SER . 0.5 OUTLIER -82.05 13.92 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.232 -179.353 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 221' ' ' ASP . . . . . 0.435 ' OD2' ' N ' ' C' ' 218' ' ' GLU . 34.7 m-20 -89.9 135.75 33.45 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.91 0.385 . . . . 0.0 110.324 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 222' ' ' THR . . . . . 0.425 ' OG1' ' OD1' ' C' ' 225' ' ' ASN . 4.2 p -83.2 138.84 33.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.999 -179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 223' ' ' ILE . . . . . 0.437 HG21 HD12 ' C' ' 223' ' ' ILE . 29.9 mm -46.59 -38.7 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.282 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -58.68 -44.55 90.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.372 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 225' ' ' ASN . . . . . 0.425 ' OD1' ' OG1' ' C' ' 222' ' ' THR . 21.0 m120 -61.23 -37.16 82.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.057 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 47.6 t -63.91 -53.81 39.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.138 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 29.3 mttp -49.29 -40.99 36.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.181 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -61.39 -44.86 96.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.298 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -57.04 -43.15 81.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.31 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 5.0 mt -61.85 -51.25 74.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.198 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -51.23 -30.89 18.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.225 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 232' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' C' ' 232' ' ' ASP . 61.7 t0 -75.66 -27.02 58.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.57 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt -82.14 -64.08 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.498 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -86.97 -109.28 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.506 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -169.12 12.29 0.05 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 236' ' ' ILE . . . . . 0.509 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 43.2 mt -81.3 114.92 53.05 Favored Pre-proline 0 C--N 1.329 -0.3 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -64.42 150.06 88.94 Favored 'Trans proline' 0 C--N 1.314 -1.271 0 C-N-CA 121.508 1.472 . . . . 0.0 111.573 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 238' ' ' PRO . . . . . 0.477 ' O ' ' N ' ' C' ' 240' ' ' GLN . 2.7 Cg_endo -48.35 -65.89 0.15 Allowed 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.395 2.063 . . . . 0.0 111.937 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.23 -21.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 240' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' C' ' 238' ' ' PRO . 11.6 mt-30 -105.52 37.01 2.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.738 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 241' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 76.9 mt-30 -134.54 154.13 51.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.054 0.454 . . . . 0.0 110.693 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 242' ' ' ARG . . . . . 0.66 ' NH1' HD22 ' D' ' 328' ' ' ASN . 11.5 mtt180 -155.1 103.6 2.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.808 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 54.6 mt -84.65 126.14 33.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.6 mt -131.12 117.02 35.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.288 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 245' ' ' PHE . . . . . 0.472 ' CZ ' ' OD1' ' A' ' 25' ' ' ASP . 52.0 t80 -109.62 77.83 1.09 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.68 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 246' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' C' ' 248' ' ' LYS . . . 72.09 89.59 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.769 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 247' ' ' GLY . . . . . 0.429 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 38.47 31.0 0.1 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 248' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' C' ' 246' ' ' ALA . 26.3 mmtm -133.74 100.92 4.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.785 0.326 . . . . 0.0 110.633 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 249' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' C' ' 250' ' ' LEU . 19.6 tm0? -76.22 125.01 28.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.114 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 250' ' ' LEU . . . . . 0.524 ' O ' ' NE2' ' C' ' 249' ' ' GLN . 8.8 mt -86.55 127.41 34.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.773 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 251' ' ' GLU . . . . . 0.493 ' H ' ' HH ' ' C' ' 259' ' ' TYR . 42.3 mt-10 -73.52 160.51 31.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.621 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.12 -18.12 47.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.78 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -105.22 38.93 3.04 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.331 -0.707 . . . . 0.0 111.331 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 28.2 mmt-85 -139.64 172.01 13.41 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 255' ' ' THR . . . . . 0.43 ' OG1' ' OD1' ' C' ' 258' ' ' ASP . 27.7 p -114.7 158.52 21.68 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.678 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 60.8 mt -57.06 -28.67 62.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.672 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 257' ' ' SER . . . . . . . . . . . . . 25.8 p -66.74 -41.34 88.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.733 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 258' ' ' ASP . . . . . 0.43 ' OD1' ' OG1' ' C' ' 255' ' ' THR . 1.0 OUTLIER -52.37 -29.36 23.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.663 -179.843 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 259' ' ' TYR . . . . . 0.493 ' HH ' ' H ' ' C' ' 251' ' ' GLU . 79.2 m-85 -100.42 16.92 22.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.683 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 260' ' ' ASN . . . . . 0.523 ' C ' HD21 ' C' ' 260' ' ' ASN . 0.2 OUTLIER 44.74 41.5 5.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 88.6 mt -84.31 109.44 17.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.383 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -85.24 -157.82 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.797 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -85.6 160.06 19.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 59.73 30.22 19.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.751 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 8.9 m -87.22 132.83 33.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.39 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 5.6 m -86.36 105.58 16.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.636 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 5.5 mp -94.05 121.18 35.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.393 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 268' ' ' HIS . . . . . 0.678 ' HD1' ' H ' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -83.83 105.9 15.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.476 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 269' ' ' LEU . . . . . 0.405 HD11 ' H ' ' C' ' 270' ' ' VAL . 44.9 tp -86.26 133.48 33.82 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.612 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 270' ' ' VAL . . . . . 0.405 ' H ' HD11 ' C' ' 269' ' ' LEU . 3.1 t -129.27 163.94 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.58 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 271' ' ' LEU . . . . . 0.541 ' O ' ' NH1' ' D' ' 340' ' ' ARG . 6.2 mp -97.05 114.8 26.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.528 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -82.88 118.0 23.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.372 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 273' ' ' LEU . . . . . 0.63 ' HG ' HH12 ' D' ' 340' ' ' ARG . 1.2 mt -91.04 154.31 19.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.553 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 274' ' ' ARG . . . . . 0.439 ' CZ ' ' CB ' ' C' ' 274' ' ' ARG . 8.9 mtp-105 -60.41 -138.32 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.467 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . -161.74 -155.86 8.11 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 276' ' ' CYS . . . . . 0.443 ' SG ' ' O ' ' C' ' 276' ' ' CYS . 19.4 p . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.602 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.612 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 12.6 t -157.43 -157.72 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.909 0.385 . . . . 0.0 110.508 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 311' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' D' ' 312' ' ' LYS . 34.6 ttpt -156.69 56.56 0.55 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.405 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 312' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' D' ' 311' ' ' LYS . 7.5 mmtp 48.43 179.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.498 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -96.58 106.05 18.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.579 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -84.77 92.76 8.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.506 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 14.8 mt -105.35 45.98 0.94 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.469 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 8.6 t -79.7 -13.01 59.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -146.81 88.48 1.75 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.838 0.351 . . . . 0.0 110.798 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -131.62 168.23 18.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.308 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -110.75 165.92 11.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.729 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 320' ' ' TYR . . . . . 0.479 ' C ' ' CD1' ' D' ' 320' ' ' TYR . 14.3 t80 -63.16 -48.73 77.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.591 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.22 94.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.778 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.67 -53.79 53.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.766 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 15.0 mt -59.25 -52.66 64.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.566 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 324' ' ' ARG . . . . . 0.658 HH21 HH22 ' C' ' 242' ' ' ARG . 6.3 tpt180 -59.16 -52.13 67.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.672 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 325' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' D' ' 329' ' ' THR . 14.1 t70 -60.17 -47.13 87.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.729 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 326' ' ' THR . . . . . 0.471 ' O ' ' N ' ' D' ' 330' ' ' SER . 64.5 m -56.07 -41.83 75.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.666 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 327' ' ' ILE . . . . . 0.568 ' CD1' ' NH2' ' D' ' 340' ' ' ARG . 87.3 mt -73.74 -35.51 43.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.595 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 328' ' ' ASN . . . . . 0.66 HD22 ' NH1' ' C' ' 242' ' ' ARG . 1.5 m-80 -81.09 -22.29 39.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.964 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.476 ' N ' ' O ' ' D' ' 325' ' ' ASP . 72.8 p -103.03 -46.98 4.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.843 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 330' ' ' SER . . . . . 0.471 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.9 OUTLIER -79.74 167.57 20.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.067 0.461 . . . . 0.0 110.861 -179.631 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 331' ' ' CYS . . . . . 0.429 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 6.5 p -138.24 15.27 2.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.051 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 332' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' D' ' 333' ' ' ILE . 20.3 m-20 -74.02 90.96 2.01 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.588 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' D' ' 332' ' ' ASP . 3.3 mt -38.44 -40.41 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.778 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -56.38 -58.98 5.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.129 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 335' ' ' LEU . . . . . 0.479 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 9.0 mt -57.06 -46.3 82.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.824 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 66.3 mt -50.71 -48.54 58.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.139 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -59.72 -49.5 77.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.09 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -60.44 -41.22 93.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.101 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 339' ' ' CYS . . . . . 0.479 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 63.8 m -62.99 -54.07 44.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.2 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 340' ' ' ARG . . . . . 0.63 HH12 ' HG ' ' C' ' 273' ' ' LEU . 0.0 OUTLIER -51.68 -40.21 59.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.355 -0.384 . . . . 0.0 109.966 179.584 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -61.33 -55.13 35.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 342' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -66.86 -37.04 83.68 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.898 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.08 -48.29 80.85 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.409 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -63.85 -54.46 34.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.209 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -45.91 -56.51 5.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.397 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 68.9 mtt-85 -46.62 -45.23 18.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.614 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -70.1 -53.72 16.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -50.98 -51.94 47.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.53 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 349' ' ' VAL . . . . . 0.404 ' CG2' ' N ' ' D' ' 350' ' ' TYR . 7.1 p -148.55 159.39 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.598 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 350' ' ' TYR . . . . . 0.404 ' N ' ' CG2' ' D' ' 349' ' ' VAL . 41.7 t80 54.74 86.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.612 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 351' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.932 -1.033 . . . . 0.0 110.523 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.613 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.1 t -171.83 141.23 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 110.5 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -163.83 139.82 6.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.596 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -77.19 -177.65 4.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.51 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -94.39 122.14 36.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.605 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -78.61 92.94 4.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.442 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.7 mt -93.18 44.59 1.15 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.575 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.0 t -84.81 -10.5 57.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.819 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -147.46 84.01 1.55 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.739 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -129.93 164.21 24.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.287 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -105.36 165.15 11.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.561 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -66.0 -48.79 70.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.519 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.61 -33.68 74.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.714 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -68.34 -55.61 11.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.681 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 mt -55.29 -56.94 14.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.446 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.583 ' NH1' HE22 ' C' ' 262' ' ' GLN . 0.0 OUTLIER -53.01 -53.34 51.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.392 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.533 ' OD2' ' CZ ' ' C' ' 245' ' ' PHE . 1.5 t70 -53.65 -50.96 64.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.393 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.58 ' O ' ' N ' ' A' ' 30' ' ' SER . 19.7 m -50.87 -51.62 49.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.758 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 53.2 mt -65.04 -27.15 41.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.801 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.509 ' CG ' HH21 ' B' ' 142' ' ' ARG . 1.3 m-80 -98.22 -0.26 44.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.121 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.519 ' N ' ' O ' ' A' ' 25' ' ' ASP . 73.1 p -133.18 -6.24 3.02 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.141 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.58 ' N ' ' O ' ' A' ' 26' ' ' THR . 7.6 t -109.53 169.69 8.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.007 0.432 . . . . 0.0 111.153 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 85.8 m -144.28 39.36 1.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.401 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -115.79 104.4 11.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.733 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.6 mt -43.16 -36.04 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.449 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -62.0 -53.85 49.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.113 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.496 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 10.1 mt -64.34 -43.22 95.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.036 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.0 mt -59.94 -47.21 86.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.163 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.99 -49.07 73.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.476 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.409 ' O ' ' HG2' ' A' ' 41' ' ' GLU . . . -61.5 -52.41 64.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.372 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 98.3 m -51.8 -43.97 63.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.386 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.4 mtp-105 -68.59 -33.12 73.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.446 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.445 ' CG ' ' N ' ' A' ' 42' ' ' GLU . 2.6 pt-20 -66.48 -45.43 79.68 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.615 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.445 ' N ' ' CG ' ' A' ' 41' ' ' GLU . 4.0 pt-20 -71.81 -35.9 70.1 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.299 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -61.49 -44.69 96.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.926 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -66.73 -54.02 27.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.191 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -45.91 -55.82 6.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.387 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.7 mtp85 -45.96 -38.21 7.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.637 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.5 mt -77.87 -35.5 50.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.495 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -71.78 -60.44 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.541 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.4 p -45.21 127.43 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.621 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.515 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 32.2 t80 -155.38 72.07 0.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.495 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.515 ' CG ' ' O ' ' A' ' 50' ' ' TYR . 84.9 m-70 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.6 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 13.4 ttp . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -82.13 134.54 35.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.536 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 12.5 pt -134.9 142.99 38.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.749 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -95.55 140.09 30.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.594 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 18.0 t -122.81 106.8 18.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.268 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 7.8 tptp -81.15 134.68 35.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.561 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 111' ' ' LYS . 23.9 p -101.35 -167.51 1.43 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.459 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.618 ' CD2' ' H ' ' B' ' 108' ' ' LEU . 0.6 OUTLIER -82.7 -34.55 27.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.443 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 36.2 p -77.99 5.03 10.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.612 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 83.23 2.96 90.4 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.432 ' O ' ' OG1' ' B' ' 107' ' ' THR . 48.4 tttm -79.41 124.93 28.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.554 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 8.4 m -97.34 152.65 18.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.56 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 2.1 mt -136.83 126.87 39.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.536 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 5.3 m -94.45 124.59 38.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.297 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 31.1 mt -131.17 134.97 47.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.827 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -85.79 131.92 34.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.236 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 34.9 m -150.98 -164.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.923 0.392 . . . . 0.0 110.822 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.476 ' C ' ' H ' ' B' ' 120' ' ' SER . 6.1 mt-10 -144.62 146.74 33.33 Favored Pre-proline 0 CA--C 1.531 0.237 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.107 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -48.11 -10.24 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.447 2.098 . . . . 0.0 112.366 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' SER . . . . . 0.476 ' H ' ' C ' ' B' ' 118' ' ' GLU . 1.9 p -97.17 -22.96 16.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.719 0.295 . . . . 0.0 110.834 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . 0.463 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 1.3 m-20 -48.86 138.08 11.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.931 0.396 . . . . 0.0 110.711 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' THR . . . . . 0.479 ' O ' ' N ' ' B' ' 125' ' ' ASN . 18.4 p -89.89 135.9 33.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.631 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 27.8 mm -41.44 -44.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.484 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -57.42 -38.4 74.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.228 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' B' ' 122' ' ' THR . 0.1 OUTLIER -64.17 -40.15 95.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.156 179.609 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 74.9 t -63.13 -50.61 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.978 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . 0.444 ' NZ ' ' C ' ' B' ' 141' ' ' GLN . 46.3 mttm -51.38 -41.19 60.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.189 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.38 -43.2 99.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.274 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -59.09 -39.93 83.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.244 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 8.3 mt -67.25 -32.34 57.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.174 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -67.32 -31.4 71.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.338 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' B' ' 132' ' ' ASP . 3.5 m-20 -78.92 -26.29 43.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.755 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -83.77 -64.26 1.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.667 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -83.26 -107.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.635 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -174.3 22.86 0.06 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.761 -0.935 . . . . 0.0 110.761 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.522 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 24.1 mt -101.25 107.98 52.92 Favored Pre-proline 0 C--N 1.33 -0.282 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -62.94 152.76 77.51 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 121.674 1.583 . . . . 0.0 111.853 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.536 ' C ' ' H ' ' B' ' 140' ' ' GLN . 2.8 Cg_endo -46.93 -57.57 2.22 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.571 2.181 . . . . 0.0 111.851 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -51.17 -8.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.506 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.536 ' H ' ' C ' ' B' ' 138' ' ' PRO . 54.8 mt-30 -123.9 32.28 5.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.494 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 59.4 mt-30 -129.86 168.6 16.35 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.376 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . 0.509 HH21 ' CG ' ' A' ' 28' ' ' ASN . 36.6 ttt85 -170.35 109.01 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.35 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 14.2 mt -93.99 132.01 38.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.771 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.6 mt -123.46 141.28 44.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.292 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' B' ' 148' ' ' LYS . 36.7 t80 -155.53 159.93 40.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.616 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 43.26 27.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 68.33 35.38 82.24 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' B' ' 145' ' ' PHE . 80.6 mttt -148.09 139.7 23.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.782 0.325 . . . . 0.0 110.685 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' B' ' 150' ' ' LEU . 10.5 tm0? -75.97 127.51 33.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.168 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.526 ' O ' ' NE2' ' B' ' 149' ' ' GLN . 15.0 mt -81.26 133.83 35.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 0.0 110.907 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . 0.619 ' H ' ' HH ' ' B' ' 159' ' ' TYR . 40.8 mt-10 -78.36 163.4 25.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.69 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.01 -28.5 32.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.975 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -95.34 43.27 2.24 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -139.67 173.59 11.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.686 0.279 . . . . 0.0 110.335 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 29.8 p -118.14 162.04 18.87 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.719 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.21 -15.68 48.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.684 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 2.8 t -81.03 -42.39 21.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.726 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -48.89 -42.38 36.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.705 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . 0.619 ' HH ' ' H ' ' B' ' 151' ' ' GLU . 82.7 m-85 -87.12 0.88 54.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.6 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . 0.516 ' O ' ' NE2' ' B' ' 162' ' ' GLN . 21.8 m-20 60.81 41.72 14.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.677 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 76.7 mt -82.72 101.84 7.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.395 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' B' ' 160' ' ' ASN . 4.4 mp0 -78.67 -172.0 2.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.667 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -72.03 161.42 30.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.793 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 57.51 33.9 23.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.969 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 65.4 m -90.49 136.27 33.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.489 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 9.1 m -93.47 103.63 15.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.605 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 11.2 mt -91.82 126.49 36.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.471 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 168' ' ' HIS . . . . . 0.665 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -81.89 112.34 18.91 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.553 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . 0.534 ' C ' ' CD1' ' B' ' 169' ' ' LEU . 2.6 tm? -88.7 132.32 34.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.019 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . 0.412 ' H ' HD23 ' B' ' 169' ' ' LEU . 2.1 t -143.78 138.16 25.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.713 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 7.8 mp -77.24 158.52 30.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.531 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -109.56 70.94 0.75 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.262 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 13.9 mt -40.36 104.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.748 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . 0.473 ' CZ ' ' CB ' ' B' ' 174' ' ' ARG . 11.6 ttm105 -58.9 152.87 18.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 175' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' B' ' 176' ' ' GLY . . . -151.15 -47.35 0.02 OUTLIER Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' B' ' 175' ' ' GLY . . . . . . . . 0 CA--C 1.526 0.722 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 201' ' ' MET . . . . . 0.54 ' N ' ' O ' ' C' ' 217' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 202' ' ' GLN . . . . . 0.417 ' O ' ' OE1' ' C' ' 264' ' ' GLU . 21.3 mt-30 -118.09 112.41 20.17 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.436 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 11.8 pt -100.54 161.26 3.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.825 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -105.05 154.95 19.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.13 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 65.4 t -139.8 108.45 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.219 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 50.3 mttm -97.33 133.17 42.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.985 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 30.3 p -93.96 -148.51 0.26 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.362 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 208' ' ' LEU . . . . . 0.617 ' CD2' ' H ' ' C' ' 208' ' ' LEU . 0.5 OUTLIER -83.46 -47.62 11.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.313 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 5.9 p -74.03 20.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.511 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 210' ' ' GLY . . . . . 0.531 ' H ' ' C ' ' C' ' 208' ' ' LEU . . . 65.47 22.15 69.29 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -76.97 109.83 11.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.725 0.298 . . . . 0.0 110.594 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 9.3 m -90.73 145.53 24.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.649 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 2.7 mt -137.58 128.06 37.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.661 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 5.4 m -91.41 117.39 29.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.08 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 23.9 mt -119.36 131.09 55.64 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.893 0.378 . . . . 0.0 111.098 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -84.13 115.63 22.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.913 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 217' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' C' ' 201' ' ' MET . 4.6 m -145.76 177.59 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.854 0.359 . . . . 0.0 111.165 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 218' ' ' GLU . . . . . 0.546 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 62.8 mt-10 -131.26 152.76 81.13 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.955 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.19 -25.89 2.1 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.714 2.276 . . . . 0.0 112.613 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 220' ' ' SER . . . . . 0.414 ' H ' ' HG ' ' C' ' 220' ' ' SER . 2.4 p -81.68 -26.14 34.93 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.136 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 221' ' ' ASP . . . . . 0.546 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 1.1 m-20 -44.96 137.8 3.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.962 0.41 . . . . 0.0 110.825 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 222' ' ' THR . . . . . 0.466 ' O ' ' N ' ' C' ' 225' ' ' ASN . 18.2 p -91.25 136.5 33.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.463 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 223' ' ' ILE . . . . . 0.43 HG21 HD13 ' C' ' 223' ' ' ILE . 20.9 mm -41.54 -48.66 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.523 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -53.78 -36.56 62.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.275 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 225' ' ' ASN . . . . . 0.666 ' ND2' ' HZ2' ' C' ' 229' ' ' LYS . 0.2 OUTLIER -65.23 -41.01 94.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.12 179.594 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 13.7 t -63.09 -44.51 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.088 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 227' ' ' LYS . . . . . 0.455 ' HZ2' ' H ' ' C' ' 243' ' ' LEU . 46.4 mttm -56.93 -39.08 73.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.123 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.71 -45.01 91.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.248 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 229' ' ' LYS . . . . . 0.666 ' HZ2' ' ND2' ' C' ' 225' ' ' ASN . 43.4 mttp -56.74 -51.33 69.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.269 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 73.3 mt -56.16 -45.12 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.223 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.75 -26.14 44.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.083 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -76.66 -39.0 53.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.336 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -72.18 -63.67 1.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.283 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -80.89 -115.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.589 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -167.54 10.87 0.06 OUTLIER Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 236' ' ' ILE . . . . . 0.498 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 40.4 mt -79.55 116.24 59.26 Favored Pre-proline 0 C--N 1.329 -0.324 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.26 152.12 74.38 Favored 'Trans proline' 0 C--N 1.314 -1.263 0 C-N-CA 121.468 1.445 . . . . 0.0 111.478 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -47.49 -60.89 0.71 Allowed 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.427 2.085 . . . . 0.0 111.97 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 239' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' C' ' 239' ' ' ASP . 9.9 t70 -47.36 -22.37 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.796 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -104.48 34.04 3.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.764 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 241' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 67.7 mt-30 -134.51 144.69 48.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.583 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 242' ' ' ARG . . . . . 0.574 ' NH2' ' NH1' ' C' ' 272' ' ' ARG . 19.5 ttm180 -150.47 122.98 8.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.283 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 243' ' ' LEU . . . . . 0.455 ' H ' ' HZ2' ' C' ' 227' ' ' LYS . 76.7 mt -101.0 130.55 47.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.074 0.464 . . . . 0.0 110.997 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.6 mt -128.62 126.28 64.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.208 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 245' ' ' PHE . . . . . 0.533 ' CZ ' ' OD2' ' A' ' 25' ' ' ASP . 63.2 t80 -110.89 74.19 0.86 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.654 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 246' ' ' ALA . . . . . 0.516 ' C ' ' H ' ' C' ' 248' ' ' LYS . . . 66.04 69.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.847 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 247' ' ' GLY . . . . . 0.477 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 73.55 -23.07 1.02 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 248' ' ' LYS . . . . . 0.516 ' H ' ' C ' ' C' ' 246' ' ' ALA . 87.7 mttt -81.99 90.74 6.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.737 0.303 . . . . 0.0 110.62 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 249' ' ' GLN . . . . . 0.512 ' NE2' ' O ' ' C' ' 249' ' ' GLN . 0.0 OUTLIER -68.25 128.35 36.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.063 179.656 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 8.5 mt -89.29 134.21 34.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 0.0 110.845 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -82.6 159.97 22.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.544 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.72 -18.63 58.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.968 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -107.04 43.09 1.76 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 21.7 mmt-85 -139.81 175.43 9.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.634 0.254 . . . . 0.0 110.344 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 255' ' ' THR . . . . . 0.453 ' C ' ' H ' ' C' ' 257' ' ' SER . 26.6 p -119.43 163.37 17.34 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.736 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.21 1.18 1.64 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.689 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 257' ' ' SER . . . . . 0.529 ' C ' ' H ' ' C' ' 259' ' ' TYR . 29.6 t -96.41 -33.49 11.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.623 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.75 17.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.595 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 259' ' ' TYR . . . . . 0.529 ' H ' ' C ' ' C' ' 257' ' ' SER . 68.9 m-85 -140.63 2.77 1.83 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.55 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 260' ' ' ASN . . . . . 0.489 ' O ' ' ND2' ' C' ' 260' ' ' ASN . 0.4 OUTLIER 62.03 24.99 14.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.786 179.842 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 86.8 mt -75.92 111.32 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.362 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 262' ' ' GLN . . . . . 0.583 HE22 ' NH1' ' A' ' 24' ' ' ARG . 30.0 mt-30 -86.65 -157.45 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.705 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -85.75 157.97 20.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.735 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 264' ' ' GLU . . . . . 0.417 ' OE1' ' O ' ' C' ' 202' ' ' GLN . 8.1 mm-40 56.66 25.75 10.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.846 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 16.0 m -79.01 136.83 37.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.386 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 5.0 m -83.42 108.52 16.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.707 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 1.3 mp -98.39 125.23 43.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.262 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 268' ' ' HIS . . . . . 0.693 ' HD1' ' H ' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -85.7 109.93 18.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.473 -179.873 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 62.8 tp -87.8 143.97 26.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.714 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 2.0 t -145.27 137.59 20.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.361 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 271' ' ' LEU . . . . . 0.574 ' CD1' ' N ' ' C' ' 271' ' ' LEU . 6.4 mp -85.87 112.46 21.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.498 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 272' ' ' ARG . . . . . 0.574 ' NH1' ' NH2' ' C' ' 242' ' ' ARG . 40.6 mtp180 -62.97 120.13 10.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.619 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 273' ' ' LEU . . . . . . . . . . . . . 12.4 mt -89.9 74.77 7.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.508 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 22.2 ttt85 -72.25 56.65 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.568 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . -82.87 24.86 4.94 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 84.8 m . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.524 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 52.3 m -155.47 128.92 8.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.762 0.315 . . . . 0.0 110.513 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 311' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -167.48 153.0 7.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.543 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 312' ' ' LYS . . . . . 0.527 ' CD ' ' N ' ' D' ' 312' ' ' LYS . 3.0 mptp? -78.48 178.3 7.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.427 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -104.37 140.49 37.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -80.85 92.86 6.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.621 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 15.8 mt -99.57 43.66 1.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.532 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 99.3 p -84.42 -0.16 51.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.668 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -138.77 69.79 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.661 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -130.03 175.23 9.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.384 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.515 ' N ' ' OE1' ' D' ' 322' ' ' GLU . 33.3 mttp -128.19 170.09 13.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.756 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 320' ' ' TYR . . . . . 0.489 ' C ' ' CD1' ' D' ' 320' ' ' TYR . 8.0 t80 -62.01 -46.67 88.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.541 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -61.82 -48.01 82.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 322' ' ' GLU . . . . . 0.515 ' OE1' ' N ' ' D' ' 319' ' ' LYS . 73.3 mt-10 -56.44 -55.92 27.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 15.3 mt -59.02 -59.64 5.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.65 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 324' ' ' ARG . . . . . 0.66 ' NH1' HD22 ' D' ' 328' ' ' ASN . 16.2 tpt85 -53.09 -49.62 66.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.699 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 325' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' D' ' 329' ' ' THR . 32.0 t70 -62.03 -47.17 85.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.68 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 326' ' ' THR . . . . . 0.536 ' O ' ' N ' ' D' ' 330' ' ' SER . 54.5 m -55.54 -47.18 76.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.404 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 327' ' ' ILE . . . . . 0.445 HD12 HG23 ' D' ' 327' ' ' ILE . 85.2 mt -67.04 -31.98 55.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.43 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 328' ' ' ASN . . . . . 0.66 HD22 ' NH1' ' D' ' 324' ' ' ARG . 1.0 OUTLIER -88.31 -14.05 39.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 -179.544 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.518 ' N ' ' O ' ' D' ' 325' ' ' ASP . 57.4 p -113.77 -13.42 12.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.93 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 330' ' ' SER . . . . . 0.6 ' HG ' ' H ' ' D' ' 331' ' ' CYS . 4.4 t -112.41 -176.58 2.95 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.043 0.449 . . . . 0.0 110.877 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 331' ' ' CYS . . . . . 0.6 ' H ' ' HG ' ' D' ' 330' ' ' SER . 9.7 p -152.02 7.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.172 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -69.97 92.34 0.72 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.412 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 2.1 mt -38.55 -41.86 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.668 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -54.76 -54.3 43.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.112 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 335' ' ' LEU . . . . . 0.456 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 8.5 mt -61.39 -42.16 98.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.023 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 84.0 mt -53.46 -44.51 68.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.434 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -68.05 -49.41 61.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.471 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -60.38 -43.9 96.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.251 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 339' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 76.9 m -63.04 -53.44 53.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.155 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 340' ' ' ARG . . . . . 0.506 ' O ' ' CD2' ' D' ' 344' ' ' HIS . 22.2 mtp85 -51.88 -38.35 55.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.221 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -63.78 -60.04 3.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.612 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 342' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -62.09 -36.48 81.83 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.433 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -60.71 -42.06 96.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.139 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 344' ' ' HIS . . . . . 0.508 ' O ' ' N ' ' D' ' 348' ' ' LYS . 31.2 m170 -66.43 -50.18 64.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.056 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -50.01 -46.46 52.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.257 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 12.2 mtp85 -60.48 -47.37 86.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.626 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.64 -20.06 58.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.372 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 348' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' D' ' 344' ' ' HIS . 18.0 tptm -84.05 -75.84 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.487 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 349' ' ' VAL . . . . . . . . . . . . . 13.4 p -103.03 133.53 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.575 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 350' ' ' TYR . . . . . 0.527 ' CD2' ' O ' ' D' ' 350' ' ' TYR . 46.2 t80 -170.63 31.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.587 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 351' ' ' HIS . . . . . 0.489 ' ND1' ' OXT' ' D' ' 351' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.534 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.6 t -84.09 97.8 9.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.859 0.362 . . . . 0.0 110.532 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -84.86 77.66 10.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.561 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt -83.83 -160.16 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.487 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -129.57 157.4 42.16 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.444 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -113.11 92.91 4.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.663 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.4 mt -95.79 45.26 1.08 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.369 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.7 m -79.93 18.37 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.726 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -170.91 84.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.605 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -134.01 174.16 10.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.365 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.3 mttp -122.38 165.02 16.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.669 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.426 ' OH ' ' N ' ' B' ' 176' ' ' GLY . 18.7 t80 -63.27 -49.48 73.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.433 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.43 -36.22 81.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.662 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -66.41 -55.21 16.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.667 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.9 mt -55.27 -56.3 21.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.478 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.727 HH12 HH22 ' B' ' 142' ' ' ARG . 14.9 tpt85 -53.87 -53.36 53.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.472 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' A' ' 29' ' ' THR . 9.4 t70 -52.96 -51.15 62.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.435 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.577 ' O ' ' N ' ' A' ' 30' ' ' SER . 24.1 m -50.84 -50.33 56.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.671 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.416 HG22 HD13 ' A' ' 27' ' ' ILE . 95.7 mt -67.5 -22.77 29.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.491 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.674 HD22 ' NH1' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -101.73 0.41 35.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.248 -179.647 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 25' ' ' ASP . 50.5 p -140.06 -1.53 1.56 Allowed 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.909 -0.317 . . . . 0.0 111.29 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.577 ' N ' ' O ' ' A' ' 26' ' ' THR . 2.0 t -119.72 157.15 29.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.021 0.439 . . . . 0.0 111.076 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.501 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 26.9 p -134.52 85.98 2.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.383 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -158.89 97.62 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.538 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.9 mt -39.31 -42.39 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -56.41 -59.01 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.315 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 24.7 mt -58.88 -50.15 75.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.086 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.3 mt -50.41 -45.32 55.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.456 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.14 -48.95 77.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.386 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.89 -46.02 91.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.321 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 78.5 m -57.47 -53.52 57.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.283 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.2 mtp85 -55.63 -42.63 75.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.464 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -55.79 -62.86 1.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.658 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 43' ' ' PHE . 3.9 pt-20 -59.57 -40.59 87.85 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.428 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.402 ' N ' ' CG ' ' A' ' 42' ' ' GLU . 13.1 t80 -52.53 -42.66 64.56 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.027 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -69.99 -45.51 67.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.239 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -48.22 -52.94 18.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.488 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -46.88 -35.33 6.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.198 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 16.1 mt -86.07 -39.38 16.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.581 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.476 ' O ' ' CE1' ' A' ' 51' ' ' HIS . 72.3 tttt -62.75 -60.51 3.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.558 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.5 t 61.44 -123.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.373 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -137.6 82.67 1.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.497 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.476 ' CE1' ' O ' ' A' ' 48' ' ' LYS . 5.2 m-70 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.555 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.454 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . 0.535 ' N ' ' OE1' ' B' ' 102' ' ' GLN . 1.3 mp0 -81.13 108.97 15.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.547 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 11.2 pt -108.53 146.16 14.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.454 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -98.88 147.24 25.15 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.799 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 5.0 t -137.7 108.85 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.429 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm -89.56 134.61 34.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.634 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 74.6 p -93.28 -162.04 0.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.274 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.57 ' CD2' ' N ' ' B' ' 108' ' ' LEU . 3.2 mm? -71.88 -52.84 15.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.499 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 6.0 p -62.99 -16.95 61.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.575 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.86 25.94 7.34 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -84.44 117.61 23.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.812 0.339 . . . . 0.0 110.515 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 6.5 m -91.24 135.23 33.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.676 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 2.2 mt -123.44 125.72 72.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.531 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 24.0 m -95.15 103.39 15.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.052 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 28.4 mt -114.69 135.65 53.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.975 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.532 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 4.2 mp0 -85.91 128.43 34.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.124 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' B' ' 101' ' ' MET . 15.8 m -147.05 -162.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.04 0.447 . . . . 0.0 110.973 -179.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -143.43 171.05 7.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.653 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -74.51 -6.84 18.85 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 C-N-CA 122.294 1.996 . . . . 0.0 112.318 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 2.4 p -104.92 -4.16 22.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.515 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -68.26 136.38 53.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.473 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 4.7 p -86.08 140.21 30.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.904 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 25.0 mm -45.97 -51.98 3.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.281 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -47.86 -40.85 22.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.242 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.498 ' OD1' ' NZ ' ' B' ' 129' ' ' LYS . 30.1 t-20 -61.65 -46.03 91.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.072 179.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 42.3 t -56.48 -45.77 82.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.958 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -56.73 -33.36 66.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.975 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.96 -55.27 20.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.167 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.498 ' NZ ' ' OD1' ' B' ' 125' ' ' ASN . 48.9 mttp -51.56 -48.56 63.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.188 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 49.8 mt -55.99 -45.29 80.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.155 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -54.86 -30.14 57.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.996 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -72.47 -40.47 66.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.517 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -71.99 -65.95 0.7 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.394 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -77.67 -108.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.606 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 176.62 16.48 0.02 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.456 ' O ' ' OE1' ' B' ' 141' ' ' GLN . 30.1 mt -81.72 128.45 69.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -57.75 144.96 92.16 Favored 'Trans proline' 0 C--N 1.313 -1.297 0 C-N-CA 121.531 1.487 . . . . 0.0 111.639 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -52.38 -29.99 41.41 Favored 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 122.171 1.914 . . . . 0.0 111.804 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . 0.497 ' C ' ' H ' ' B' ' 141' ' ' GLN . 0.7 OUTLIER -71.01 -56.15 6.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.612 -179.845 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.427 ' OE1' ' O ' ' B' ' 172' ' ' ARG . 13.4 mm100 -71.44 41.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.598 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.497 ' H ' ' C ' ' B' ' 139' ' ' ASP . 35.8 mt-30 -134.36 160.03 39.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.586 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . 0.727 HH22 HH12 ' A' ' 24' ' ' ARG . 11.3 ttm180 -170.34 151.97 3.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.754 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.3 mt -130.77 138.25 49.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.135 0.493 . . . . 0.0 111.218 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 2.0 mt -130.2 137.18 57.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.903 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . 0.472 ' O ' ' N ' ' B' ' 148' ' ' LYS . 64.8 t80 -153.69 161.17 42.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.668 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 39.99 29.45 0.05 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.684 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' B' ' 145' ' ' PHE . . . 66.64 42.7 93.22 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' B' ' 145' ' ' PHE . 86.2 mttt -150.8 137.47 18.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.618 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -81.7 127.32 32.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.19 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 10.1 mt -83.08 133.32 35.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 110.69 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -80.07 159.98 25.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.572 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.9 -4.17 55.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.758 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -120.61 40.49 2.15 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -139.56 171.32 14.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.637 0.256 . . . . 0.0 110.326 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 3.8 p -110.73 163.27 13.93 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.907 0.384 . . . . 0.0 110.77 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.44 -16.2 61.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.763 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 157' ' ' SER . . . . . 0.529 ' C ' ' H ' ' B' ' 159' ' ' TYR . 2.5 t -78.07 -34.2 50.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.687 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -72.53 17.8 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.618 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . 0.529 ' H ' ' C ' ' B' ' 157' ' ' SER . 59.8 m-85 -140.58 1.62 1.75 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.536 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 62.66 26.62 15.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.752 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 83.0 mt -79.53 100.02 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.454 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -83.82 -157.35 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.747 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 7.3 ptp85 -82.48 161.56 22.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.736 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 57.17 15.63 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.633 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 35.1 m -81.25 136.35 35.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 166' ' ' THR . . . . . 0.403 ' O ' ' CD1' ' B' ' 145' ' ' PHE . 3.1 m -87.04 155.35 20.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.453 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 11.0 mt -139.79 124.27 18.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.598 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 168' ' ' HIS . . . . . 0.711 ' N ' ' HD1' ' B' ' 168' ' ' HIS . 0.2 OUTLIER -83.77 105.65 14.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.177 179.761 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . 0.42 HD23 ' N ' ' B' ' 170' ' ' VAL . 5.8 tt -85.7 131.54 34.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.164 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . 0.42 ' N ' HD23 ' B' ' 169' ' ' LEU . 3.0 t -127.57 140.84 48.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.311 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 8.6 mp -80.97 106.45 12.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.512 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . 0.616 ' NH1' ' NH2' ' A' ' 24' ' ' ARG . 46.8 ttt85 -60.66 110.21 1.24 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.519 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 27.6 mt -78.07 142.24 38.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.535 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -81.3 128.77 34.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.566 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 161.79 167.0 21.6 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . 0.426 ' N ' ' OH ' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.526 0.755 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 201' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -95.92 115.39 27.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.694 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 17.6 pt -106.73 147.53 11.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.564 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -96.88 146.47 24.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.651 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 44.9 t -134.55 106.8 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.323 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -93.79 134.28 36.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 48.8 p -91.32 -169.56 2.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.424 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 208' ' ' LEU . . . . . 0.608 ' CD2' ' H ' ' C' ' 208' ' ' LEU . 0.4 OUTLIER -85.64 22.53 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.512 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 11.7 p -136.5 1.51 2.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.524 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 89.85 8.92 66.7 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -80.04 112.66 17.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.727 0.299 . . . . 0.0 110.556 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 15.2 m -95.04 143.27 26.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.704 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 1.4 mt -133.69 124.64 48.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.446 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 30.5 m -90.92 111.84 23.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.314 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 16.8 mt -116.91 128.73 55.51 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.944 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -81.02 122.22 27.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.13 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 217' ' ' VAL . . . . . . . . . . . . . 11.0 m -146.89 -169.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.007 0.432 . . . . 0.0 110.985 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 218' ' ' GLU . . . . . 0.524 ' N ' ' OD2' ' C' ' 221' ' ' ASP . 43.2 mt-10 -147.44 153.73 44.31 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.97 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.68 -48.59 10.27 Favored 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.832 2.355 . . . . 0.0 112.595 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 2.4 p -59.48 -36.14 75.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.38 -179.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 221' ' ' ASP . . . . . 0.524 ' OD2' ' N ' ' C' ' 218' ' ' GLU . 6.2 m-20 -41.8 138.28 1.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.014 0.435 . . . . 0.0 110.908 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 222' ' ' THR . . . . . 0.495 ' HG1' ' H ' ' C' ' 225' ' ' ASN . 19.1 p -90.3 138.31 31.64 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.626 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 223' ' ' ILE . . . . . 0.41 HD11 HG23 ' C' ' 223' ' ' ILE . 20.3 mm -43.78 -55.76 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.577 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -45.84 -43.15 13.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.31 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 225' ' ' ASN . . . . . 0.495 ' H ' ' HG1' ' C' ' 222' ' ' THR . 30.4 t-20 -59.16 -46.07 89.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.416 . . . . 0.0 109.891 179.575 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 36.7 t -55.81 -47.44 79.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 227' ' ' LYS . . . . . 0.443 ' O ' ' OE1' ' C' ' 241' ' ' GLN . 80.3 mttt -53.82 -33.79 57.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.857 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 228' ' ' ALA . . . . . 0.428 ' O ' ' OD2' ' C' ' 232' ' ' ASP . . . -66.78 -41.19 88.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.151 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 48.5 mttm -62.18 -42.04 98.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.385 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 44.7 mt -65.25 -46.83 89.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.34 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 231' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' C' ' 231' ' ' GLN . 0.9 OUTLIER -55.75 -30.72 61.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.356 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 232' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' C' ' 228' ' ' ALA . 22.8 m-20 -76.21 -28.04 57.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.374 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 24.5 mmtm -78.55 -62.2 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.416 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -82.94 -79.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.5 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 153.74 9.11 0.08 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 236' ' ' ILE . . . . . 0.527 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 47.6 mt -82.48 129.58 62.41 Favored Pre-proline 0 C--N 1.329 -0.299 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -56.12 149.84 51.44 Favored 'Trans proline' 0 N--CA 1.49 1.274 0 C-N-CA 121.568 1.512 . . . . 0.0 111.567 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 238' ' ' PRO . . . . . 0.52 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.5 Cg_endo -50.32 -68.11 0.09 OUTLIER 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.319 2.013 . . . . 0.0 112.146 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -39.01 -31.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.285 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -89.19 29.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.9 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 241' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 87.3 mt-30 -134.89 95.84 3.41 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.765 0.316 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 242' ' ' ARG . . . . . . . . . . . . . 31.5 ttt85 -100.95 120.84 40.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.103 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 12.5 mt -96.33 133.5 40.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.116 0.484 . . . . 0.0 111.224 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 244' ' ' ILE . . . . . 0.403 ' CG2' ' SG ' ' D' ' 331' ' ' CYS . 1.7 mt -130.1 117.65 41.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.883 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 245' ' ' PHE . . . . . 0.524 ' CZ ' ' OD2' ' A' ' 25' ' ' ASP . 46.5 t80 -100.52 76.34 1.83 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.878 0.371 . . . . 0.0 111.099 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 50.6 88.71 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.151 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 247' ' ' GLY . . . . . . . . . . . . . . . 58.31 36.31 82.72 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.531 -0.627 . . . . 0.0 111.531 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -151.02 89.54 1.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.718 0.294 . . . . 0.0 110.847 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 249' ' ' GLN . . . . . 0.544 HE21 ' C ' ' C' ' 250' ' ' LEU . 0.4 OUTLIER -70.19 117.21 11.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.009 179.572 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 250' ' ' LEU . . . . . 0.544 ' C ' HE21 ' C' ' 249' ' ' GLN . 10.9 mt -77.45 141.21 39.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.967 0.413 . . . . 0.0 111.12 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -83.99 160.24 21.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.398 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.95 -3.31 59.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.714 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -123.02 39.38 2.25 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 62.1 mmt-85 -139.41 175.54 9.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.676 0.274 . . . . 0.0 110.356 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 255' ' ' THR . . . . . 0.433 ' C ' ' H ' ' C' ' 257' ' ' SER . 8.8 p -112.64 156.24 23.07 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.885 0.374 . . . . 0.0 110.815 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.12 -5.6 1.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.572 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 257' ' ' SER . . . . . 0.433 ' H ' ' C ' ' C' ' 255' ' ' THR . 8.3 t -85.38 -40.77 16.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.693 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -51.9 -33.99 39.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.745 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -96.46 10.54 37.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.715 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 50.77 39.68 22.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 69.1 mt -82.33 105.12 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.383 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 262' ' ' GLN . . . . . 0.442 HE22 HH22 ' B' ' 172' ' ' ARG . 43.9 mt-30 -82.78 -156.83 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -83.93 161.67 20.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 55.58 29.05 12.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.721 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 37.9 m -83.17 131.99 35.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.573 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 9.1 m -87.92 112.38 22.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.495 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 11.3 mt -107.27 132.95 52.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.561 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 268' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -90.79 110.22 21.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.404 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 30.8 tp -86.18 139.2 31.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 270' ' ' VAL . . . . . 0.597 ' CG1' ' CZ ' ' D' ' 340' ' ' ARG . 12.1 t -134.27 145.29 33.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.231 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 271' ' ' LEU . . . . . . . . . . . . . 7.9 mt -87.27 97.28 10.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.538 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -62.48 101.87 0.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.54 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 273' ' ' LEU . . . . . . . . . . . . . 12.6 mt -78.23 151.06 33.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.53 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 -143.61 151.43 40.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.504 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . -175.28 125.34 1.07 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 92.4 m . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.541 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -157.6 121.39 4.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 110.606 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 311' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -113.37 125.7 54.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.517 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 312' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -60.4 -156.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.596 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -139.24 136.79 35.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.463 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 314' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' D' ' 314' ' ' ASP . 0.5 OUTLIER -84.45 92.99 8.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.624 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 10.6 mt -95.79 44.98 1.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.457 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 59.0 p -82.98 18.44 1.64 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.787 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.75 84.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.66 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -133.83 -178.29 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.281 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -125.28 160.55 28.99 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.563 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -58.37 -51.37 70.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.578 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -63.14 -45.09 93.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.748 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -57.49 -43.45 84.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.68 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 14.6 mt -67.63 -55.39 13.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.512 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 324' ' ' ARG . . . . . 0.478 ' O ' ' ND2' ' D' ' 328' ' ' ASN . 9.9 ttt-85 -57.12 -53.39 58.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.605 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 325' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' D' ' 329' ' ' THR . 8.0 t70 -53.37 -50.98 63.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.343 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 326' ' ' THR . . . . . 0.581 ' O ' ' N ' ' D' ' 330' ' ' SER . 63.7 m -53.92 -47.84 70.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.289 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 327' ' ' ILE . . . . . 0.635 ' CG2' HH22 ' D' ' 340' ' ' ARG . 57.9 mt -67.57 -31.43 52.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.445 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 328' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' D' ' 324' ' ' ARG . 1.5 m-80 -88.82 -4.42 58.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.723 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.451 ' N ' ' O ' ' D' ' 325' ' ' ASP . 71.0 p -126.75 -10.26 6.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.198 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 330' ' ' SER . . . . . 0.581 ' N ' ' O ' ' D' ' 326' ' ' THR . 13.7 t -104.94 173.51 6.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.054 0.454 . . . . 0.0 111.14 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 331' ' ' CYS . . . . . 0.468 ' N ' ' HG ' ' D' ' 330' ' ' SER . 96.9 m -150.1 34.12 0.66 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.447 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 332' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' D' ' 333' ' ' ILE . 0.9 OUTLIER -110.11 101.83 10.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.651 -179.818 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . 0.562 ' H ' ' CD1' ' D' ' 333' ' ' ILE . 0.7 OUTLIER -38.96 -44.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.474 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -53.43 -57.03 12.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.041 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 18.6 mt -59.85 -47.01 87.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.939 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 336' ' ' LEU . . . . . 0.438 ' CA ' HH21 ' D' ' 340' ' ' ARG . 23.5 mt -54.67 -46.64 74.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.449 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -64.07 -49.15 73.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.456 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -56.87 -43.37 81.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.338 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 339' ' ' CYS . . . . . . . . . . . . . 61.6 m -63.08 -53.59 51.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.197 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 340' ' ' ARG . . . . . 0.635 HH22 ' CG2' ' D' ' 327' ' ' ILE . 0.8 OUTLIER -56.7 -31.32 64.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.265 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -67.27 -53.68 27.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.304 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 342' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -67.95 -37.76 81.99 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.706 -0.397 . . . . 0.0 110.49 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -62.18 -44.95 95.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 344' ' ' HIS . . . . . 0.456 ' CG ' ' O ' ' D' ' 340' ' ' ARG . 30.8 m170 -64.71 -54.68 27.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.266 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -47.18 -56.3 6.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.432 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 69.4 mtt-85 -46.04 -43.5 14.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.716 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 57.1 mt -69.17 -64.49 0.86 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.542 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 35.3 tptt -44.82 -44.75 9.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.51 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 349' ' ' VAL . . . . . . . . . . . . . 22.6 t -84.1 112.62 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.491 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 350' ' ' TYR . . . . . 0.437 ' CD1' ' N ' ' D' ' 350' ' ' TYR . 5.3 p90 -78.16 59.32 2.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.573 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 351' ' ' HIS . . . . . . . . . . . . . 72.7 t60 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.549 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.667 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.415 ' CG2' ' CE2' ' A' ' 13' ' ' TYR . 4.7 t -174.15 143.42 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.546 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 12' ' ' LYS . 55.7 tttp -60.18 108.0 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.573 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.469 ' C ' ' CD1' ' A' ' 13' ' ' TYR . 11.5 mmmt 44.11 -170.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.583 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.52 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 3.3 m-85 -145.35 144.42 30.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.537 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -80.9 92.88 6.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.57 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.0 mt -97.35 43.42 1.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.466 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.7 t -82.33 2.71 30.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.692 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -147.68 73.81 1.29 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.692 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -131.12 159.42 37.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.341 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -105.49 168.28 9.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.74 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -66.21 -47.31 74.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.464 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.85 -36.38 79.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.681 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.416 ' O ' ' OG1' ' A' ' 26' ' ' THR . 71.2 mm-40 -67.58 -55.33 13.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.621 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -56.6 -56.76 17.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.549 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.524 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 5.0 tpt180 -54.81 -53.41 55.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.509 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.441 ' O ' ' OG1' ' A' ' 29' ' ' THR . 5.6 t70 -54.63 -50.23 68.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.566 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 30' ' ' SER . 25.6 m -53.59 -40.99 66.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.669 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.1 mt -76.43 -25.04 16.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.67 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.615 HD21 ' N ' ' A' ' 28' ' ' ASN . 0.8 OUTLIER -91.03 -8.33 49.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.945 -179.753 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 16.9 p -126.74 -44.46 1.66 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.01 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.5 OUTLIER -76.61 150.09 36.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.019 0.437 . . . . 0.0 111.064 -179.495 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.609 ' SG ' ' CG ' ' B' ' 168' ' ' HIS . 13.5 t -124.92 31.5 5.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.29 94.19 9.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.515 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.6 mt -39.46 -40.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.855 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -57.43 -59.04 5.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.417 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.459 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 11.9 mt -58.78 -46.13 88.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.192 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.9 mt -50.69 -43.71 57.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.451 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.56 -49.31 66.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.23 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.45 ' CB ' ' HZ3' ' A' ' 12' ' ' LYS . . . -59.66 -41.29 90.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.222 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.459 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 70.8 m -61.22 -53.5 56.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.152 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.42 ' O ' ' CD2' ' A' ' 44' ' ' HIS . 17.4 mtp-105 -52.54 -42.31 64.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.183 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -59.1 -62.87 1.56 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.729 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 43' ' ' PHE . 3.9 pt-20 -59.73 -42.01 92.17 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.457 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.431 ' N ' ' CG ' ' A' ' 42' ' ' GLU . 21.4 t80 -53.49 -41.41 66.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.065 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.42 ' CD2' ' O ' ' A' ' 40' ' ' ARG . 16.2 m170 -69.27 -44.33 72.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.165 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 49' ' ' VAL . 48.1 mtp180 -51.34 -52.52 44.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.456 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -46.01 -32.02 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.237 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.4 mt -89.16 -37.06 15.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.496 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -89.64 10.65 22.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.6 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.602 ' CG2' ' H ' ' A' ' 50' ' ' TYR . 8.1 p -74.02 179.65 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.387 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.602 ' H ' ' CG2' ' A' ' 49' ' ' VAL . 8.1 t80 -64.98 -141.55 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.409 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 . . . . . 0 C--N 1.324 -0.521 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.639 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 2.1 ptt? . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -100.65 117.5 34.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.581 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 23.4 pt -103.88 149.74 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.609 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -102.27 133.04 47.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.586 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 97.2 t -119.28 113.46 41.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.315 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -98.25 132.45 43.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.768 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' THR . . . . . 0.456 ' O ' ' N ' ' B' ' 110' ' ' GLY . 24.5 p -99.56 -179.81 4.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.32 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.75 ' CD2' ' H ' ' B' ' 108' ' ' LEU . 0.4 OUTLIER -42.81 -66.9 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.531 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 36.8 p -56.41 -5.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.539 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . 0.513 ' H ' ' C ' ' B' ' 108' ' ' LEU . . . 89.64 3.61 74.21 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -52.03 112.64 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.746 0.307 . . . . 0.0 110.402 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.1 m -87.77 146.29 25.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.668 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 2.9 mt -140.73 127.92 22.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.556 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 8.5 m -91.88 112.33 24.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.258 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 20.8 mt -116.29 126.67 53.88 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.873 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -78.12 117.78 19.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.154 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 7.6 m -146.47 168.54 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.949 0.404 . . . . 0.0 110.991 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.462 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 1.5 mt-10 -111.44 177.51 1.19 Allowed Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.586 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -74.76 -28.29 9.76 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.375 2.05 . . . . 0.0 112.006 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 3.9 t -84.91 -12.91 52.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.663 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . 0.462 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 50.7 m-20 -54.42 135.74 44.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.53 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 15.4 p -86.55 140.14 30.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 5.2 mm -46.72 -41.21 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.11 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.15 -40.55 74.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.0 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.518 ' C ' HD21 ' B' ' 125' ' ' ASN . 0.2 OUTLIER -62.36 -40.88 97.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.798 179.356 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 19.1 t -60.72 -53.07 54.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.928 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 39.9 mttp -49.99 -34.45 21.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.777 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . 0.411 ' O ' ' OD1' ' B' ' 132' ' ' ASP . . . -66.0 -43.16 88.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.138 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -59.93 -40.18 88.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.319 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 4.8 mt -66.87 -47.96 81.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.359 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -55.71 -24.55 35.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.282 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' B' ' 128' ' ' ALA . 1.0 OUTLIER -83.52 -27.7 29.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.565 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -83.78 -65.89 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.667 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -81.21 -106.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.65 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -175.83 18.85 0.04 OUTLIER Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.43 ' O ' ' OE1' ' B' ' 141' ' ' GLN . 36.7 mt -91.78 112.51 54.97 Favored Pre-proline 0 CA--C 1.532 0.258 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -63.92 152.72 79.53 Favored 'Trans proline' 0 C--N 1.314 -1.268 0 C-N-CA 121.484 1.456 . . . . 0.0 111.761 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.9 Cg_endo -47.82 -62.63 0.41 Allowed 'Trans proline' 0 C--N 1.309 -1.552 0 C-N-CA 122.497 2.131 . . . . 0.0 111.892 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -43.45 -23.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.69 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.416 ' N ' ' C ' ' B' ' 138' ' ' PRO . 80.0 mt-30 -105.66 34.87 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.546 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' B' ' 138' ' ' PRO . 33.5 mt-30 -134.37 163.98 28.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.56 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . 0.614 ' NH1' ' NE2' ' B' ' 149' ' ' GLN . 25.2 ttt85 -170.32 104.59 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.162 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 13.1 mt -87.39 128.09 35.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.07 0.462 . . . . 0.0 110.903 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.7 mt -123.05 142.4 39.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.084 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -146.39 104.4 3.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.815 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 65.7 72.65 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 38.64 43.14 1.56 Allowed Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -148.57 119.36 7.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.884 0.373 . . . . 0.0 110.535 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . 0.614 ' NE2' ' NH1' ' B' ' 142' ' ' ARG . 24.5 tt0 -80.23 124.85 29.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.317 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 14.5 mt -79.42 128.48 33.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.661 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -75.4 162.01 28.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.644 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.22 -34.11 49.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.707 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -88.86 41.29 3.04 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -139.68 146.89 40.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.756 0.312 . . . . 0.0 110.468 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 155' ' ' THR . . . . . 0.457 ' C ' ' H ' ' B' ' 157' ' ' SER . 15.8 p -94.81 164.43 12.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.881 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 79.8 mt -66.6 2.15 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.64 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 157' ' ' SER . . . . . 0.457 ' H ' ' C ' ' B' ' 155' ' ' THR . 85.4 p -96.46 -27.57 14.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.521 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -78.54 15.28 1.04 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.567 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . 0.405 ' H ' ' C ' ' B' ' 157' ' ' SER . 54.9 m-85 -140.57 5.49 2.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.534 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 60.98 25.91 15.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.698 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 84.5 mt -77.55 99.64 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.517 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -82.86 -157.21 0.21 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.665 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -83.59 160.2 21.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.779 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 55.79 23.08 6.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.734 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 28.9 m -85.21 135.74 33.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.499 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 8.0 m -84.51 152.49 23.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.532 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.1 mt -140.09 132.49 28.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.307 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 168' ' ' HIS . . . . . 0.736 ' H ' ' HD1' ' B' ' 168' ' ' HIS . 0.1 OUTLIER -88.58 100.12 12.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.47 -179.834 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 46.1 tp -84.79 133.49 34.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.862 0.363 . . . . 0.0 110.673 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.5 t -133.9 142.44 41.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.498 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . 0.488 ' N ' ' CD1' ' B' ' 171' ' ' LEU . 8.0 mp -80.49 105.19 11.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.571 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -57.69 105.11 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.529 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . 0.416 ' CD2' ' HE2' ' A' ' 44' ' ' HIS . 23.8 mt -72.83 167.93 19.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.533 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -59.56 137.79 57.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.528 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 160.78 83.37 0.05 OUTLIER Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.707 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 201' ' ' MET . . . . . 0.517 ' N ' ' O ' ' C' ' 217' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 202' ' ' GLN . . . . . 0.411 ' O ' ' OE1' ' C' ' 264' ' ' GLU . 16.1 mt-30 -86.72 119.2 26.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.544 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 15.8 pt -112.47 145.12 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.626 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -99.31 143.03 30.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.439 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 75.9 t -124.63 114.45 40.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.396 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 7.7 tptp -80.37 143.14 33.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.585 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 6.8 p -112.07 175.25 5.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.485 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 208' ' ' LEU . . . . . 0.623 ' CD2' ' H ' ' C' ' 208' ' ' LEU . 0.5 OUTLIER -83.54 23.89 0.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.424 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 209' ' ' THR . . . . . 0.527 ' C ' ' H ' ' C' ' 211' ' ' LYS . 9.3 p -136.52 26.03 3.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.553 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 67.87 -8.82 1.64 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 211' ' ' LYS . . . . . 0.527 ' H ' ' C ' ' C' ' 209' ' ' THR . 46.0 tttm -76.05 161.74 28.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.55 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 212' ' ' THR . . . . . 0.448 ' N ' ' CG ' ' C' ' 211' ' ' LYS . 54.3 m -136.27 160.48 38.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.474 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 2.2 mt -141.1 125.98 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.604 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 4.9 m -99.35 126.06 45.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.365 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 38.0 mt -131.86 138.72 48.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.877 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 216' ' ' GLU . . . . . 0.538 ' H ' ' CD ' ' C' ' 216' ' ' GLU . 17.1 mp0 -84.15 125.64 32.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.122 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 217' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' C' ' 201' ' ' MET . 10.8 m -146.69 179.27 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.964 0.411 . . . . 0.0 110.874 -179.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 218' ' ' GLU . . . . . 0.52 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 83.7 mt-10 -135.62 150.07 70.96 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.966 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.92 -22.48 2.02 Favored 'Trans proline' 0 C--N 1.31 -1.462 0 C-N-CA 122.532 2.155 . . . . 0.0 112.344 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.3 p -92.94 11.27 27.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.057 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 221' ' ' ASP . . . . . 0.52 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 7.9 m-20 -84.05 134.31 34.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 110.303 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 222' ' ' THR . . . . . 0.483 ' O ' ' N ' ' C' ' 225' ' ' ASN . 6.9 p -84.17 134.4 34.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.805 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 223' ' ' ILE . . . . . 0.411 HG23 HD11 ' C' ' 223' ' ' ILE . 31.3 mm -43.84 -45.23 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.16 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -55.76 -34.15 64.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.068 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 225' ' ' ASN . . . . . 0.504 ' C ' HD21 ' C' ' 225' ' ' ASN . 0.2 OUTLIER -66.94 -39.26 87.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.994 179.474 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 14.8 t -65.29 -47.68 86.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.235 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -55.96 -37.31 68.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.243 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -66.48 -38.2 86.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.402 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -64.16 -42.52 96.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.478 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 59.4 mt -68.73 -29.59 44.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.497 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 231' ' ' GLN . . . . . 0.432 ' O ' ' OE1' ' C' ' 231' ' ' GLN . 0.6 OUTLIER -73.15 -22.65 60.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.196 179.819 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -83.54 -36.07 24.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.598 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -83.35 -66.4 0.9 Allowed 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.318 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -68.19 -114.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.551 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -172.9 13.37 0.04 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 236' ' ' ILE . . . . . 0.523 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 15.2 mt -93.25 112.9 58.37 Favored Pre-proline 0 CA--C 1.532 0.277 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -62.28 155.46 56.79 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 121.564 1.509 . . . . 0.0 111.774 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 238' ' ' PRO . . . . . 0.522 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.7 Cg_endo -46.3 -67.82 0.11 Allowed 'Trans proline' 0 C--N 1.309 -1.526 0 C-N-CA 122.696 2.264 . . . . 0.0 112.015 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -42.29 -20.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.831 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 240' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' C' ' 238' ' ' PRO . 32.3 mt-30 -108.39 33.8 3.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.646 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 241' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 58.0 mt-30 -134.37 162.8 31.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.46 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 242' ' ' ARG . . . . . 0.626 ' NE ' ' NE2' ' C' ' 249' ' ' GLN . 18.9 ttm180 -170.26 116.52 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.473 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 17.5 mt -97.89 132.44 43.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.732 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.5 mt -126.16 142.72 41.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.5 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 245' ' ' PHE . . . . . 0.48 ' O ' ' CB ' ' C' ' 246' ' ' ALA . 60.7 t80 -143.36 93.02 2.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.604 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 246' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' C' ' 245' ' ' PHE . . . 81.18 52.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.65 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 247' ' ' GLY . . . . . 0.429 ' N ' ' SG ' ' D' ' 331' ' ' CYS . . . 72.48 -41.82 0.82 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 248' ' ' LYS . . . . . 0.458 ' H ' ' C ' ' C' ' 246' ' ' ALA . 7.0 ptpt -70.68 137.78 50.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.942 0.401 . . . . 0.0 110.84 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 249' ' ' GLN . . . . . 0.626 ' NE2' ' NE ' ' C' ' 242' ' ' ARG . 32.0 tt0 -91.91 143.71 26.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.289 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 11.6 mt -89.23 125.57 35.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.767 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 251' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' C' ' 251' ' ' GLU . 0.6 OUTLIER -68.91 162.21 27.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.612 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.72 -33.58 31.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.857 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -92.52 41.45 2.76 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 22.9 mmt-85 -139.74 170.58 15.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.669 0.271 . . . . 0.0 110.314 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 255' ' ' THR . . . . . 0.421 ' OG1' ' OD1' ' C' ' 258' ' ' ASP . 23.5 p -113.48 163.66 14.62 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.691 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 88.5 mt -58.7 -39.38 80.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.699 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 257' ' ' SER . . . . . 0.523 ' C ' ' H ' ' C' ' 259' ' ' TYR . 14.6 t -59.42 -33.66 71.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 258' ' ' ASP . . . . . 0.421 ' OD1' ' OG1' ' C' ' 255' ' ' THR . 5.5 m-20 -71.7 15.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.731 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 259' ' ' TYR . . . . . 0.523 ' H ' ' C ' ' C' ' 257' ' ' SER . 54.8 m-85 -140.71 5.92 2.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.577 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 260' ' ' ASN . . . . . 0.524 ' ND2' ' OE1' ' B' ' 149' ' ' GLN . 53.9 t30 60.83 27.24 17.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.787 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 82.5 mt -80.49 105.98 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.449 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -83.26 -157.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -85.65 157.64 20.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.745 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 264' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' C' ' 202' ' ' GLN . 6.0 mm-40 58.57 32.1 21.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.847 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 29.6 m -84.37 128.28 34.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.531 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 8.0 m -91.86 93.04 8.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.647 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 267' ' ' LEU . . . . . 0.525 ' C ' ' HD1' ' C' ' 268' ' ' HIS . 2.4 mp -78.62 168.73 19.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.591 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 268' ' ' HIS . . . . . 0.617 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.1 OUTLIER -114.98 111.75 21.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.179 179.712 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 42.2 tp -89.8 131.4 35.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.365 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -136.38 141.93 39.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.441 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 271' ' ' LEU . . . . . 0.456 ' CD1' ' N ' ' C' ' 271' ' ' LEU . 8.3 mp -80.36 99.46 7.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.297 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 272' ' ' ARG . . . . . 0.616 ' CD ' HH21 ' C' ' 242' ' ' ARG . 24.0 ttm180 -56.72 110.91 0.87 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.476 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 273' ' ' LEU . . . . . . . . . . . . . 11.8 mt -86.09 68.79 10.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.496 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -76.53 103.27 6.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.601 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . -73.83 -136.57 0.35 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 17.9 t . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.59 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.623 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 310' ' ' THR . . . . . 0.419 ' O ' ' O ' ' D' ' 311' ' ' LYS . 53.4 m -156.96 104.78 2.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.744 0.306 . . . . 0.0 110.475 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 311' ' ' LYS . . . . . 0.473 ' NZ ' ' OD1' ' D' ' 314' ' ' ASP . 23.7 ttpp 60.13 134.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.578 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 312' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -60.87 177.72 0.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.622 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -91.36 126.2 36.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.529 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 314' ' ' ASP . . . . . 0.473 ' OD1' ' NZ ' ' D' ' 311' ' ' LYS . 1.2 m-20 -77.84 92.91 4.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.55 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 13.8 mt -87.58 41.38 0.98 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.519 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 65.8 m -86.09 18.37 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.636 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -147.44 18.57 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.589 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -91.56 173.83 7.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.497 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -116.67 163.72 15.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.347 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -61.26 -49.35 77.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.622 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.72 96.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.712 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -57.38 -58.54 7.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.486 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 16.1 mt -52.87 -61.58 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.54 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 324' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -53.07 -51.86 60.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.436 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 325' ' ' ASP . . . . . 0.54 ' O ' ' N ' ' D' ' 329' ' ' THR . 6.6 t70 -53.32 -51.14 63.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.475 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 326' ' ' THR . . . . . 0.553 ' O ' ' N ' ' D' ' 330' ' ' SER . 53.2 m -51.18 -48.05 62.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.704 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 97.4 mt -66.46 -27.81 41.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.481 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 328' ' ' ASN . . . . . 0.666 ' N ' HD21 ' D' ' 328' ' ' ASN . 0.7 OUTLIER -99.64 1.06 43.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.277 -179.358 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.54 ' N ' ' O ' ' D' ' 325' ' ' ASP . 70.6 p -133.95 -6.24 2.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.608 0.242 . . . . 0.0 110.881 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 330' ' ' SER . . . . . 0.553 ' N ' ' O ' ' D' ' 326' ' ' THR . 3.0 t -118.11 170.84 8.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.984 0.421 . . . . 0.0 110.734 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 331' ' ' CYS . . . . . 0.45 ' H ' ' HG ' ' D' ' 330' ' ' SER . 1.2 p -137.2 18.87 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.247 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -83.01 91.76 7.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.252 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 3.4 mm -38.1 -44.18 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.816 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 334' ' ' GLU . . . . . 0.544 ' CD ' ' H ' ' D' ' 334' ' ' GLU . 20.8 mp0 -53.87 -58.8 5.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.35 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 7.9 mt -54.72 -45.14 74.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.33 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 67.2 mt -50.59 -48.06 57.88 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.113 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.26 -49.26 77.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.275 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -62.44 -53.51 53.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.168 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 339' ' ' CYS . . . . . 0.464 ' O ' ' OE2' ' D' ' 342' ' ' GLU . 97.7 m -52.23 -35.82 50.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.164 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 17.7 mtp-105 -76.22 -30.74 58.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.078 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 341' ' ' GLU . . . . . 0.426 ' CG ' ' N ' ' D' ' 342' ' ' GLU . 1.7 pt-20 -69.27 -43.41 73.97 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.089 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 342' ' ' GLU . . . . . 0.47 ' CD ' ' N ' ' D' ' 343' ' ' PHE . 3.0 pp20? -73.01 -40.21 65.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.798 179.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 343' ' ' PHE . . . . . 0.47 ' N ' ' CD ' ' D' ' 342' ' ' GLU . 8.3 t80 -59.54 -39.43 83.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.211 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -72.85 -56.36 5.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.501 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 345' ' ' ARG . . . . . 0.436 ' NH2' ' CB ' ' D' ' 342' ' ' GLU . 0.6 OUTLIER -46.61 -43.37 17.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.224 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 -53.68 -39.45 65.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.456 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 12.9 mt -81.95 -22.23 36.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.462 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -69.84 -58.24 4.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.569 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 349' ' ' VAL . . . . . 0.467 ' C ' ' H ' ' D' ' 351' ' ' HIS . 15.0 m -63.36 -168.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.568 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 350' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -78.13 29.9 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.567 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 351' ' ' HIS . . . . . 0.507 ' OXT' ' CD2' ' D' ' 351' ' ' HIS . 12.8 t-160 . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.559 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 11' ' ' LYS . 53.2 m -156.07 99.49 1.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.775 0.321 . . . . 0.0 110.51 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.422 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 4.5 mptp? 38.32 87.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.72 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -75.87 171.46 14.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.52 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.505 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 8.5 m-85 -97.03 122.76 40.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.51 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.71 92.86 5.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.481 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.9 mt -100.6 43.41 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.505 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.1 m -84.66 4.32 32.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.707 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.8 mttm -146.64 66.39 1.17 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.61 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -127.94 164.78 21.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.329 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -114.71 170.98 7.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.51 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -66.27 -45.56 80.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.511 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.81 80.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.662 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.433 ' O ' ' OG1' ' A' ' 26' ' ' THR . 94.3 mt-10 -68.45 -55.01 13.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.627 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.3 mt -58.2 -56.97 15.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.519 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.687 HH12 ' HE ' ' B' ' 172' ' ' ARG . 0.1 OUTLIER -53.05 -52.58 58.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.45 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.524 ' OD2' ' CE1' ' C' ' 245' ' ' PHE . 4.4 t70 -54.72 -50.26 68.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.484 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.553 ' O ' ' N ' ' A' ' 30' ' ' SER . 22.9 m -51.44 -46.66 63.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 88.4 mt -73.33 -25.64 21.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.894 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.661 HD21 ' N ' ' A' ' 28' ' ' ASN . 0.7 OUTLIER -89.58 -7.6 54.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.091 -179.698 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 21.9 p -129.97 -47.12 1.13 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.212 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.553 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.2 t -65.0 164.43 12.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.984 0.421 . . . . 0.0 111.168 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.441 ' SG ' ' CG2' ' B' ' 144' ' ' ILE . 85.2 m -141.94 40.43 1.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.406 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -111.01 99.91 8.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.774 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.526 ' H ' ' CD1' ' A' ' 33' ' ' ILE . 1.2 mp -39.92 -43.01 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.677 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.508 ' H ' ' CD ' ' A' ' 34' ' ' GLU . 24.5 mp0 -55.42 -58.9 5.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.232 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.477 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 11.6 mt -58.59 -50.33 74.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.089 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 68.8 mt -50.42 -44.62 55.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.52 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.43 -49.22 74.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.582 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.0 -43.39 98.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.516 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.477 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 60.5 m -58.78 -51.78 68.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.381 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.1 mtp-105 -60.03 -38.17 81.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.393 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -58.23 -57.95 10.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.771 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -63.16 -35.64 80.98 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.652 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -58.88 -41.56 87.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.205 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -71.21 -53.55 14.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.471 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 -45.85 -50.04 14.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.379 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 70.8 mtt-85 -50.35 -40.19 48.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.476 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 56.6 mt -74.13 -36.26 64.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.512 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -78.78 -76.42 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.541 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.7 p -95.08 132.19 39.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.568 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -166.17 61.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.535 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.572 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.521 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -88.71 114.12 24.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.524 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 20.3 pt -104.06 149.18 8.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.621 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -101.18 145.73 28.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.515 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 44.7 t -126.05 107.42 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.031 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -96.72 124.38 40.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.747 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 41.3 p -86.32 -160.34 0.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.437 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.614 ' CD2' ' H ' ' B' ' 108' ' ' LEU . 0.5 OUTLIER -83.76 -34.12 24.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.351 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 5.0 p -78.96 4.32 14.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.526 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.48 21.02 60.92 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -81.8 112.7 19.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.765 0.317 . . . . 0.0 110.612 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 6.8 m -95.69 135.65 37.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.504 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 3.5 mt -132.64 129.59 58.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.64 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 4.5 m -95.83 125.44 40.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.432 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 27.5 mt -131.59 133.62 45.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.691 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -79.4 123.43 27.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.319 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . 0.521 ' O ' ' N ' ' B' ' 101' ' ' MET . 6.4 m -147.12 -179.74 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.951 0.405 . . . . 0.0 110.778 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.523 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 81.5 mt-10 -136.53 150.43 70.36 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.904 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.3 -25.86 3.49 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.537 2.158 . . . . 0.0 112.44 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.4 p -90.06 11.45 20.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.127 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . 0.523 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 6.5 m-20 -83.48 133.98 34.87 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.272 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' THR . . . . . 0.448 ' O ' ' N ' ' B' ' 125' ' ' ASN . 8.1 p -84.27 135.09 34.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.829 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . 0.432 HG21 HD13 ' B' ' 123' ' ' ILE . 28.8 mm -43.27 -43.14 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.133 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -56.49 -39.24 72.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.022 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.508 ' OD1' ' NZ ' ' B' ' 129' ' ' LYS . 36.2 t-20 -62.99 -37.91 89.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.869 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 16.0 t -64.74 -55.21 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.946 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -47.51 -39.03 15.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.212 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.38 91.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.397 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.508 ' NZ ' ' OD1' ' B' ' 125' ' ' ASN . 60.4 mttp -57.96 -42.49 85.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.433 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 4.7 mt -64.07 -48.82 84.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.376 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.8 OUTLIER -54.08 -26.85 29.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.378 179.847 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -80.31 -29.8 38.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.449 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -80.13 -66.28 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.513 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -81.22 -108.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.627 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -169.37 9.63 0.05 OUTLIER Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.418 ' O ' ' OE1' ' B' ' 141' ' ' GLN . 21.5 mt -80.66 115.47 55.6 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -62.4 153.2 72.33 Favored 'Trans proline' 0 C--N 1.315 -1.186 0 C-N-CA 121.448 1.432 . . . . 0.0 111.612 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.5 Cg_endo -47.86 -67.89 0.1 Allowed 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.515 2.143 . . . . 0.0 112.058 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -43.97 -23.1 0.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.181 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -99.64 28.81 4.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.916 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' B' ' 138' ' ' PRO . 21.7 mt-30 -134.62 145.27 48.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.943 0.401 . . . . 0.0 110.787 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . 0.579 ' NE ' ' NE2' ' B' ' 149' ' ' GLN . 8.0 ttt180 -150.52 114.22 4.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.961 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.0 mt -91.01 134.79 34.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.224 0.535 . . . . 0.0 111.301 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . 0.441 ' CG2' ' SG ' ' A' ' 31' ' ' CYS . 2.6 mt -131.02 134.85 61.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.048 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . 0.521 ' CD1' ' O ' ' B' ' 166' ' ' THR . 43.6 t80 -150.83 161.98 41.63 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.75 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 41.77 29.39 0.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.759 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 66.48 37.46 92.68 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' B' ' 145' ' ' PHE . 24.5 mtpp -145.73 136.61 24.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.804 0.335 . . . . 0.0 110.586 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . 0.579 ' NE2' ' NE ' ' B' ' 142' ' ' ARG . 18.7 tt0 -79.56 124.62 28.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.139 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 10.0 mt -81.23 126.74 31.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.357 . . . . 0.0 110.768 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . 0.408 ' OE2' ' OD1' ' C' ' 260' ' ' ASN . 11.8 mm-40 -73.54 161.35 30.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.538 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.13 -27.0 39.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -97.35 41.15 2.37 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.286 -0.725 . . . . 0.0 111.286 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -139.64 171.91 13.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 25.3 p -114.81 163.97 14.75 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.876 0.369 . . . . 0.0 110.793 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 90.2 mt -59.9 -38.03 81.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.651 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 157' ' ' SER . . . . . 0.506 ' C ' ' H ' ' B' ' 159' ' ' TYR . 54.7 p -62.18 -32.15 72.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.692 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -71.95 15.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.753 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . 0.506 ' H ' ' C ' ' B' ' 157' ' ' SER . 52.3 m-85 -140.61 7.42 2.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.543 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 64.9 t30 61.25 24.71 14.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.763 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 96.7 mt -78.15 104.21 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.462 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -81.9 -159.04 0.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.749 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -85.73 158.64 19.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.763 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 55.67 28.6 12.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.803 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 19.7 m -93.85 134.72 35.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.523 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 166' ' ' THR . . . . . 0.521 ' O ' ' CD1' ' B' ' 145' ' ' PHE . 5.9 m -78.18 156.37 29.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.407 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.1 mt -140.07 114.21 9.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.251 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 168' ' ' HIS . . . . . 0.824 ' N ' ' HD1' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -70.07 102.65 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.172 -179.863 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 42.8 tp -87.28 132.57 33.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.354 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.5 t -127.46 142.54 43.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.377 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 8.7 mp -79.49 97.12 6.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.437 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . 0.687 ' HE ' HH12 ' A' ' 24' ' ' ARG . 0.0 OUTLIER -60.13 94.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.304 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 23.9 mt -61.57 128.06 34.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.591 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . 0.438 ' CG ' ' H ' ' B' ' 175' ' ' GLY . 12.7 ttt85 53.31 -137.36 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.484 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 175' ' ' GLY . . . . . 0.438 ' H ' ' CG ' ' B' ' 174' ' ' ARG . . . 152.95 40.0 0.02 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.676 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 201' ' ' MET . . . . . 0.507 ' SD ' ' CG2' ' C' ' 217' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 202' ' ' GLN . . . . . 0.422 ' H ' ' HG2' ' C' ' 201' ' ' MET . 53.1 mt-30 -156.54 94.16 1.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.468 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 7.3 pt -104.14 149.7 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.768 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -103.58 143.88 32.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.488 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 45.3 t -127.66 116.55 43.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.637 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -97.56 129.5 44.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.554 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 32.2 p -88.11 -149.67 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.385 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 208' ' ' LEU . . . . . 0.608 ' CD2' ' H ' ' C' ' 208' ' ' LEU . 0.7 OUTLIER -82.99 -54.58 4.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.386 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 73.3 p -63.76 2.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.647 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 210' ' ' GLY . . . . . 0.496 ' H ' ' C ' ' C' ' 208' ' ' LEU . . . 83.71 21.37 58.02 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -77.92 116.61 18.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.447 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 6.0 m -91.12 145.32 24.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.568 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 2.9 mt -140.0 127.04 23.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.484 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 6.2 m -91.88 126.63 37.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.238 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 30.9 mt -129.88 140.44 50.98 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.884 0.373 . . . . 0.0 110.845 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -91.87 128.09 37.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.146 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 217' ' ' VAL . . . . . 0.507 ' CG2' ' SD ' ' C' ' 201' ' ' MET . 17.2 m -148.65 -159.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.06 0.457 . . . . 0.0 110.882 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 218' ' ' GLU . . . . . 0.53 ' C ' ' H ' ' C' ' 220' ' ' SER . 42.7 mt-10 -151.35 146.5 19.05 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.823 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -50.34 -4.68 0.06 OUTLIER 'Trans proline' 0 C--N 1.309 -1.532 0 C-N-CA 122.357 2.038 . . . . 0.0 112.448 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 220' ' ' SER . . . . . 0.53 ' H ' ' C ' ' C' ' 218' ' ' GLU . 1.7 p -109.72 9.54 24.87 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.662 0.268 . . . . 0.0 110.949 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 221' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -82.69 138.08 34.23 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.367 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 222' ' ' THR . . . . . 0.431 ' O ' ' N ' ' C' ' 225' ' ' ASN . 5.0 p -84.17 133.97 34.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.785 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 223' ' ' ILE . . . . . 0.437 HG23 HD12 ' C' ' 223' ' ' ILE . 27.6 mm -43.6 -40.4 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.254 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -58.77 -39.61 81.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.296 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 225' ' ' ASN . . . . . 0.502 ' C ' HD21 ' C' ' 225' ' ' ASN . 0.1 OUTLIER -64.14 -40.15 95.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.089 179.629 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 21.0 t -63.1 -49.06 84.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.005 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -52.84 -39.7 62.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.156 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.15 -42.39 99.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.26 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -59.11 -42.54 90.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.256 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 8.7 mt -65.97 -33.97 67.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.242 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -66.07 -27.37 68.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.293 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -82.24 -26.36 33.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.66 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 45.0 mmtt -84.6 -64.56 1.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.619 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -82.27 -106.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.699 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -176.17 20.2 0.05 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 236' ' ' ILE . . . . . 0.445 ' O ' ' OE1' ' C' ' 241' ' ' GLN . 23.3 mt -98.34 110.06 54.91 Favored Pre-proline 0 C--N 1.331 -0.236 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -64.53 152.96 79.66 Favored 'Trans proline' 0 N--CA 1.489 1.233 0 C-N-CA 121.524 1.483 . . . . 0.0 111.721 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 238' ' ' PRO . . . . . 0.517 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.8 Cg_endo -47.41 -63.57 0.31 Allowed 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.58 2.187 . . . . 0.0 111.947 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -43.47 -19.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.615 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 240' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' C' ' 238' ' ' PRO . 29.6 mt-30 -110.18 33.97 4.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.54 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 241' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' C' ' 238' ' ' PRO . 32.9 mt-30 -134.44 162.67 31.59 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.997 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 242' ' ' ARG . . . . . 0.67 HH21 ' NH2' ' D' ' 324' ' ' ARG . 5.3 mtt85 -162.56 98.12 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.852 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 12.8 mt -82.1 127.63 33.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.044 0.45 . . . . 0.0 111.08 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.6 mt -128.75 125.21 62.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.129 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 245' ' ' PHE . . . . . 0.524 ' CE1' ' OD2' ' A' ' 25' ' ' ASP . 82.6 t80 -115.79 74.37 0.89 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.031 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 70.57 88.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 247' ' ' GLY . . . . . 0.56 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 42.84 26.97 0.51 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.134 -0.787 . . . . 0.0 111.134 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 21.7 mmtm -131.58 95.39 3.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.723 0.297 . . . . 0.0 110.54 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 249' ' ' GLN . . . . . 0.526 HE22 ' HE ' ' C' ' 242' ' ' ARG . 42.7 tt0 -71.86 120.89 18.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.084 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 12.0 mt -80.01 131.13 35.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.798 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -77.69 160.76 28.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.487 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 252' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' C' ' 252' ' ' ASP . 0.3 OUTLIER -81.81 -28.95 32.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.806 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -96.84 39.85 2.7 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 26.1 mmt-85 -139.67 171.54 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 30.1 p -113.61 166.07 11.89 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.878 0.371 . . . . 0.0 110.685 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 50.1 mt -60.22 -40.94 91.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.706 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 257' ' ' SER . . . . . 0.516 ' C ' ' H ' ' C' ' 259' ' ' TYR . 5.0 t -56.22 -33.75 65.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -71.6 16.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.701 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 259' ' ' TYR . . . . . 0.516 ' H ' ' C ' ' C' ' 257' ' ' SER . 63.8 m-85 -140.61 6.59 2.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.555 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 260' ' ' ASN . . . . . 0.51 ' ND2' ' N ' ' C' ' 260' ' ' ASN . 1.4 m120 58.58 27.96 16.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.739 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 87.1 mt -79.03 102.7 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.511 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 262' ' ' GLN . . . . . 0.647 HE22 HH22 ' A' ' 24' ' ' ARG . 29.0 mt-30 -80.17 -163.84 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.68 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -83.51 157.29 22.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.756 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 60.76 21.31 11.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.718 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 30.2 m -85.99 137.33 32.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.585 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 7.0 m -86.45 157.63 19.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.418 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 7.5 mt -139.01 149.87 45.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.303 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 268' ' ' HIS . . . . . 0.624 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -107.16 95.99 6.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.518 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 40.7 tp -82.34 131.54 35.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.455 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 4.9 t -123.18 147.38 27.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.807 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 271' ' ' LEU . . . . . 0.433 ' CB ' ' NH1' ' D' ' 340' ' ' ARG . 0.5 OUTLIER -81.44 97.83 7.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.086 179.641 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 272' ' ' ARG . . . . . 0.668 ' HE ' HH22 ' C' ' 242' ' ' ARG . 68.3 ttt180 -62.69 117.2 5.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.622 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 273' ' ' LEU . . . . . . . . . . . . . 11.0 mt -88.57 -178.31 5.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.59 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 274' ' ' ARG . . . . . 0.44 ' C ' ' H ' ' C' ' 276' ' ' CYS . 32.2 mtt-85 -67.36 85.12 0.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.55 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . -76.31 17.32 4.14 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 276' ' ' CYS . . . . . 0.44 ' H ' ' C ' ' C' ' 274' ' ' ARG . 21.6 t . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.566 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.637 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 12.6 t -156.21 -158.02 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.01 0.433 . . . . 0.0 110.407 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 311' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -122.09 112.72 18.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.535 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 312' ' ' LYS . . . . . 0.532 ' CD ' ' N ' ' D' ' 312' ' ' LYS . 3.0 mptp? -70.0 -169.34 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.502 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -135.39 148.53 49.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.437 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.91 92.89 4.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.655 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 18.8 mt -99.12 32.7 2.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.464 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 13.2 t -79.25 2.28 21.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.683 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 317' ' ' LYS . . . . . 0.498 ' CB ' ' NZ ' ' D' ' 317' ' ' LYS . 5.3 mtmp? -139.0 63.0 1.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.714 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -128.09 163.22 25.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.41 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -103.79 160.26 14.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.656 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -58.44 -51.38 70.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.607 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.64 95.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.742 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -53.35 -49.31 67.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.62 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.65 -56.95 13.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.589 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 324' ' ' ARG . . . . . 0.67 ' NH2' HH21 ' C' ' 242' ' ' ARG . 10.0 tpt85 -53.05 -48.09 67.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.524 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 325' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' D' ' 329' ' ' THR . 1.1 m-20 -58.89 -49.78 76.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.401 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 326' ' ' THR . . . . . 0.507 ' O ' ' N ' ' D' ' 330' ' ' SER . 93.8 m -51.59 -43.94 62.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.497 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 327' ' ' ILE . . . . . 0.448 HG22 HD11 ' D' ' 327' ' ' ILE . 90.6 mt -71.83 -29.1 32.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.517 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 328' ' ' ASN . . . . . 0.508 ' OD1' ' NE ' ' C' ' 242' ' ' ARG . 42.0 m-80 -96.99 2.42 51.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.524 ' N ' ' O ' ' D' ' 325' ' ' ASP . 75.8 p -131.87 -17.14 2.83 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.966 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 330' ' ' SER . . . . . 0.507 ' N ' ' O ' ' D' ' 326' ' ' THR . 1.6 t -111.44 165.75 11.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.97 0.414 . . . . 0.0 110.913 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 331' ' ' CYS . . . . . 0.56 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 29.4 t -134.8 25.48 3.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.344 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 332' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' D' ' 333' ' ' ILE . 11.6 m-20 -87.66 91.61 8.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.331 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' D' ' 332' ' ' ASP . 3.2 mt -38.66 -38.57 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.731 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 334' ' ' GLU . . . . . 0.544 ' CD ' ' H ' ' D' ' 334' ' ' GLU . 3.6 mp0 -58.46 -58.92 6.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.272 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 335' ' ' LEU . . . . . 0.485 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 11.9 mt -58.01 -43.02 86.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.047 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 77.0 mt -52.73 -44.78 66.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.447 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -66.44 -49.22 67.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.276 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -60.61 -41.34 94.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.249 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 339' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 76.4 m -61.83 -53.81 50.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.083 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 340' ' ' ARG . . . . . 0.498 ' O ' ' CD2' ' D' ' 344' ' ' HIS . 10.4 mtp85 -53.09 -40.28 63.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.185 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -59.46 -61.05 2.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.632 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 342' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -62.51 -36.54 82.88 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.417 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -63.66 -33.38 75.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.063 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 344' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' D' ' 340' ' ' ARG . 37.3 m170 -73.69 -45.57 51.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.433 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 62.0 mtp85 -58.63 -43.77 89.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.561 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 346' ' ' ARG . . . . . 0.432 ' O ' ' CG2' ' D' ' 349' ' ' VAL . 14.2 mtp85 -62.24 -38.68 90.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.807 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -78.02 -56.78 4.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.41 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -57.25 -59.65 4.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.733 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 349' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' D' ' 346' ' ' ARG . 13.0 t 58.98 160.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.505 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 350' ' ' TYR . . . . . . . . . . . . . 21.0 p90 -141.32 42.47 1.77 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.57 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 351' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.515 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.633 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.1 m -75.68 54.49 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.836 0.35 . . . . 0.0 110.536 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.402 ' HG2' ' H ' ' A' ' 12' ' ' LYS . 25.3 tttt -82.97 -163.22 0.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.402 ' H ' ' HG2' ' A' ' 11' ' ' LYS . 67.5 mmtt -100.5 -177.11 3.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.485 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -92.9 130.28 38.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.543 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.421 ' OD1' ' OG ' ' A' ' 16' ' ' SER . 13.3 t0 -79.62 92.95 5.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.503 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.5 mt -95.6 37.01 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.595 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.421 ' OG ' ' OD1' ' A' ' 14' ' ' ASP . 87.3 p -86.31 18.47 3.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.673 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.6 mttp -147.2 40.88 1.06 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.619 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -110.38 168.98 9.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.514 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -123.86 155.38 38.14 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.371 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.519 ' OH ' ' N ' ' B' ' 176' ' ' GLY . 54.7 t80 -45.45 -54.32 7.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.581 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.64 -50.0 66.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.748 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -53.62 -58.27 7.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.799 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.0 mt -57.25 -57.06 14.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.784 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.516 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 5.1 tpt180 -53.05 -44.98 67.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.632 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.449 ' O ' ' OG1' ' A' ' 29' ' ' THR . 12.8 m-20 -60.86 -49.52 77.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.451 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 30' ' ' SER . 26.3 m -55.31 -41.42 72.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.556 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.417 HG23 HD13 ' A' ' 27' ' ' ILE . 96.7 mt -77.02 -22.51 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.667 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.573 HD21 ' N ' ' A' ' 28' ' ' ASN . 0.9 OUTLIER -96.7 -4.95 39.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.138 -179.596 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 41.3 p -131.05 -36.34 1.33 Allowed 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.011 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.4 OUTLIER -86.95 155.96 19.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.987 0.422 . . . . 0.0 111.134 -179.501 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.566 ' SG ' ' CG ' ' B' ' 168' ' ' HIS . 33.4 t -128.47 30.25 5.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.217 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 33' ' ' ILE . 6.7 m-20 -91.58 92.71 8.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.455 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 32' ' ' ASP . 2.6 mt -38.64 -41.31 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.882 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -56.07 -58.87 6.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.265 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.6 mt -58.78 -46.03 88.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.031 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.0 mt -50.43 -45.01 55.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.177 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.29 -49.12 73.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.259 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.35 -42.66 92.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.26 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 72.6 m -62.66 -53.54 52.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.134 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.3 mtp85 -52.85 -38.67 61.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.155 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.37 -60.82 3.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.711 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -62.53 -36.37 82.37 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.696 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -60.44 -41.4 93.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.405 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.459 ' HE2' ' CD2' ' B' ' 173' ' ' LEU . 9.2 m-70 -74.31 -55.24 6.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.48 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -45.88 -44.07 14.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.496 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 64.1 mtt-85 -55.04 -28.06 49.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.483 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 44' ' ' HIS . 15.8 mt -93.43 -53.71 3.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.544 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.519 ' C ' ' H ' ' A' ' 50' ' ' TYR . 78.2 tttt -51.78 -39.78 59.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.666 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.86 0.38 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.498 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.519 ' H ' ' C ' ' A' ' 48' ' ' LYS . 39.1 t80 -113.1 44.5 1.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.531 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.522 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 12.8 t-80 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.534 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.546 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -83.75 113.94 21.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.414 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 17.7 pt -103.99 142.39 17.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.691 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -95.67 129.91 42.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.636 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 94.7 t -112.68 108.62 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.028 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -82.26 130.35 35.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.752 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' B' ' 111' ' ' LYS . 66.6 p -98.5 -178.11 3.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.365 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.626 ' CD2' ' H ' ' B' ' 108' ' ' LEU . 0.7 OUTLIER -81.32 -26.63 35.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.383 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 7.3 p -81.52 7.4 12.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.52 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.02 1.33 89.89 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.429 ' O ' ' OG1' ' B' ' 107' ' ' THR . 51.2 tttm -84.24 125.67 32.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.815 0.341 . . . . 0.0 110.613 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.6 m -101.37 150.45 23.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.353 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 5.9 mt -132.75 132.65 59.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.565 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 8.8 m -98.42 105.82 18.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.573 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.587 ' CD2' ' N ' ' B' ' 115' ' ' LEU . 2.0 mm? -102.25 129.18 48.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.636 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -82.95 118.96 23.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.782 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . 0.546 ' O ' ' N ' ' B' ' 101' ' ' MET . 11.5 m -146.28 -159.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.218 0.532 . . . . 0.0 111.293 -179.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.593 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 2.2 mt-10 -150.5 170.97 6.94 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . 0.425 ' O ' ' OG ' ' B' ' 157' ' ' SER . 3.5 Cg_exo -71.37 -4.82 15.72 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.121 1.881 . . . . 0.0 112.397 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.9 p -109.16 3.4 21.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.738 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . 0.593 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 0.4 OUTLIER -77.27 139.15 39.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.416 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 18.7 p -84.96 137.36 33.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.933 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 25.9 mm -45.55 -50.01 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.265 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -49.46 -40.36 36.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.257 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.92 -40.77 98.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.085 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 42.5 t -62.43 -42.96 97.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.04 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' B' ' 141' ' ' GLN . 85.5 mttt -58.52 -37.88 76.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.307 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.87 -43.62 92.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.344 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -59.46 -51.52 69.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.433 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 69.3 mt -56.46 -46.79 82.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.345 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . 0.429 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.7 OUTLIER -53.99 -32.26 53.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.123 179.713 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -70.23 -38.39 75.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.348 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -71.26 -62.92 1.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.216 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -82.55 -116.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.603 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -165.08 9.51 0.07 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 53.3 mt -79.86 117.02 65.25 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.57 152.57 67.5 Favored 'Trans proline' 0 C--N 1.314 -1.264 0 C-N-CA 121.475 1.45 . . . . 0.0 111.56 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.492 ' O ' ' N ' ' B' ' 140' ' ' GLN . 2.7 Cg_endo -47.03 -67.78 0.11 Allowed 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.567 2.178 . . . . 0.0 112.013 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.1 -21.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' B' ' 138' ' ' PRO . 26.7 mt-30 -105.36 34.21 3.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.774 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' B' ' 138' ' ' PRO . 63.8 mt-30 -134.54 96.81 3.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.894 0.378 . . . . 0.0 110.673 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . 0.517 HH11 ' CD ' ' B' ' 149' ' ' GLN . 29.7 ttm-85 -101.62 112.57 25.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.248 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 15.5 mt -92.62 132.31 36.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.722 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.6 mt -127.3 143.66 39.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.457 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -149.17 105.41 3.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.713 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 65.56 70.57 0.44 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.78 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 39.9 44.82 2.79 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -150.07 120.15 7.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.837 0.351 . . . . 0.0 110.652 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . 0.517 ' CD ' HH11 ' B' ' 142' ' ' ARG . 8.0 tt0 -80.45 124.33 28.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.988 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 10.3 mt -75.98 139.37 41.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.952 0.406 . . . . 0.0 110.847 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -79.32 160.44 26.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.626 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.11 -24.13 24.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.719 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -100.42 40.65 2.36 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -139.52 172.5 12.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.702 0.287 . . . . 0.0 110.373 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 11.6 p -109.86 168.33 9.5 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.738 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.33 -35.8 82.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.744 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 157' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' B' ' 119' ' ' PRO . 5.0 p -60.42 -44.38 95.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.601 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -48.3 -39.91 23.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.689 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -90.42 21.15 4.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.54 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 45.13 33.39 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 80.8 mt -80.12 110.82 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.37 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -82.57 -161.46 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.73 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -85.71 156.05 20.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 57.26 31.64 20.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.903 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 70.4 m -81.64 140.51 34.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.52 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 5.4 m -91.75 96.07 10.22 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.493 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.2 mt -85.68 124.53 32.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.654 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 168' ' ' HIS . . . . . 0.718 ' H ' ' HD1' ' B' ' 168' ' ' HIS . 0.4 OUTLIER -79.35 100.46 7.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.383 179.761 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 64.0 tp -81.68 145.33 30.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 0.0 110.749 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.6 t -145.35 154.99 13.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.198 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 7.6 mp -94.09 106.34 18.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.441 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -59.17 106.83 0.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.561 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . 0.459 ' CD2' ' HE2' ' A' ' 44' ' ' HIS . 17.5 mt -81.31 103.9 11.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.478 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 16.0 ptt-85 -44.05 143.37 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.736 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 155.0 -154.87 25.83 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . 0.519 ' N ' ' OH ' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 201' ' ' MET . . . . . 0.522 ' N ' ' O ' ' C' ' 217' ' ' VAL . 26.6 ttp . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 202' ' ' GLN . . . . . 0.516 HE22 ' CG ' ' C' ' 216' ' ' GLU . 4.4 mp0 -68.92 130.51 42.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.485 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 11.9 pt -136.05 142.14 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.345 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -94.03 138.55 31.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.784 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 31.9 t -121.89 105.19 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.998 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -82.0 157.05 24.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.681 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 23.7 p -125.88 -174.71 3.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.442 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 208' ' ' LEU . . . . . 0.617 ' CD2' ' H ' ' C' ' 208' ' ' LEU . 0.8 OUTLIER -79.86 -25.01 40.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.399 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 8.9 p -82.52 2.8 31.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.581 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 84.62 3.84 88.0 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -76.15 162.31 28.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.732 0.301 . . . . 0.0 110.546 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 9.8 m -138.31 151.76 47.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.529 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -138.25 132.86 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.895 0.379 . . . . 0.0 110.646 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 63.8 m -99.24 98.09 9.1 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.42 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 10.7 mp -99.02 136.79 38.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.711 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 216' ' ' GLU . . . . . 0.516 ' CG ' HE22 ' C' ' 202' ' ' GLN . 81.6 tt0 -93.38 123.8 36.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.09 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 217' ' ' VAL . . . . . 0.522 ' O ' ' N ' ' C' ' 201' ' ' MET . 27.0 m -148.7 -161.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.929 0.395 . . . . 0.0 110.977 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 218' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -139.46 176.52 2.53 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.69 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.16 -26.9 10.22 Favored 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.463 2.108 . . . . 0.0 112.294 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 3.0 p -82.51 -27.04 31.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.821 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 221' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -44.66 135.1 5.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.64 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 60.5 p -85.74 143.84 28.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.82 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 223' ' ' ILE . . . . . 0.404 HG23 HD13 ' C' ' 223' ' ' ILE . 19.9 mm -46.47 -58.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.488 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -44.5 -38.1 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.54 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 225' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -65.48 -41.43 93.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.139 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 42.3 t -61.99 -51.99 65.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.979 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 227' ' ' LYS . . . . . 0.423 ' HZ3' ' H ' ' C' ' 243' ' ' LEU . 34.1 mttm -52.7 -32.03 40.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.962 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -68.17 -41.13 81.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.195 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -62.71 -42.27 99.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.267 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 60.4 mt -64.3 -46.48 93.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.232 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 231' ' ' GLN . . . . . 0.426 ' O ' ' OE1' ' C' ' 231' ' ' GLN . 0.6 OUTLIER -56.09 -31.66 63.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.378 179.802 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -75.96 -25.32 55.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.463 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 18.9 mmtm -80.58 -62.25 1.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.513 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -87.56 -108.06 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.56 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -171.93 28.23 0.1 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 236' ' ' ILE . . . . . 0.428 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 38.6 mt -95.48 111.91 57.01 Favored Pre-proline 0 C--N 1.329 -0.294 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -64.26 147.91 91.07 Favored 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 121.517 1.478 . . . . 0.0 111.399 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -48.59 -50.6 12.02 Favored 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 122.196 1.93 . . . . 0.0 111.863 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -53.24 -15.9 1.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.559 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 240' ' ' GLN . . . . . 0.534 HE22 ' H ' ' C' ' 274' ' ' ARG . 36.4 mm-40 -118.47 42.82 2.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.459 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 241' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 67.0 mt-30 -134.51 156.42 48.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.464 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 242' ' ' ARG . . . . . 0.594 HH22 ' NE ' ' C' ' 272' ' ' ARG . 0.2 OUTLIER -166.62 105.04 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.979 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 243' ' ' LEU . . . . . 0.538 ' N ' ' CD1' ' C' ' 243' ' ' LEU . 6.6 mp -90.3 128.37 36.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.119 0.485 . . . . 0.0 111.183 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.8 mt -125.53 120.02 56.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.283 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 245' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -109.74 71.4 0.76 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.847 0.356 . . . . 0.0 110.909 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 61.18 86.63 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.727 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 247' ' ' GLY . . . . . 0.627 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 56.39 32.31 60.58 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -138.84 88.15 2.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 110.611 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 249' ' ' GLN . . . . . 0.532 ' CD ' ' HE ' ' C' ' 242' ' ' ARG . 12.1 tt0 -74.49 85.88 2.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.026 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 8.9 mt -43.65 137.08 3.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -89.66 158.34 17.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.226 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.85 -1.39 43.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.846 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 253' ' ' GLY . . . . . 0.482 ' O ' ' NE ' ' C' ' 254' ' ' ARG . . . -122.98 37.64 2.74 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 254' ' ' ARG . . . . . 0.482 ' NE ' ' O ' ' C' ' 253' ' ' GLY . 0.0 OUTLIER -134.82 -174.77 3.69 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 255' ' ' THR . . . . . 0.505 ' C ' ' H ' ' C' ' 257' ' ' SER . 41.6 p -127.33 157.17 40.62 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.635 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.81 -3.99 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.553 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 257' ' ' SER . . . . . 0.505 ' H ' ' C ' ' C' ' 255' ' ' THR . 11.4 t -94.39 -27.85 15.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.654 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -73.31 12.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.622 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 259' ' ' TYR . . . . . 0.471 ' H ' ' C ' ' C' ' 257' ' ' SER . 69.2 m-85 -140.57 5.78 2.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.521 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 57.12 32.43 21.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.693 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 85.0 mt -77.02 95.83 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.449 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -76.19 -157.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.767 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 10.2 pttm -84.65 160.9 20.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.786 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 56.96 31.51 19.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.804 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 47.7 m -86.66 133.61 33.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.569 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 10.7 m -90.48 101.19 13.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.434 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 10.5 mt -89.03 121.95 31.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.641 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 268' ' ' HIS . . . . . 0.771 ' HD1' ' H ' ' C' ' 268' ' ' HIS . 0.1 OUTLIER -77.2 99.16 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.913 179.563 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 51.6 tp -79.27 133.8 36.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.865 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 2.2 t -137.31 164.69 28.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.128 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 271' ' ' LEU . . . . . 0.64 ' CD2' ' N ' ' C' ' 271' ' ' LEU . 1.1 mm? -104.37 116.29 31.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.42 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 272' ' ' ARG . . . . . 0.594 ' NE ' HH22 ' C' ' 242' ' ' ARG . 48.7 ttt180 -69.97 71.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.459 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 273' ' ' LEU . . . . . . . . . . . . . 48.4 mt -43.14 118.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.552 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 274' ' ' ARG . . . . . 0.534 ' H ' HE22 ' C' ' 240' ' ' GLN . 25.3 ptt180 -67.09 163.93 19.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.547 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . -176.96 -111.98 0.3 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 15.8 t . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.496 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.573 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 310' ' ' THR . . . . . 0.428 ' OG1' ' OE1' ' D' ' 334' ' ' GLU . 0.1 OUTLIER -157.03 84.07 0.94 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.845 0.355 . . . . 0.0 110.513 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 311' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' D' ' 312' ' ' LYS . 32.9 ttmt -82.32 56.81 3.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.551 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 312' ' ' LYS . . . . . 0.431 ' CD ' ' N ' ' D' ' 312' ' ' LYS . 0.7 OUTLIER 43.25 -168.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.574 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -134.75 140.86 46.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.551 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 314' ' ' ASP . . . . . 0.404 ' OD1' ' OG ' ' D' ' 316' ' ' SER . 43.7 t0 -81.95 92.98 6.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.605 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 315' ' ' LEU . . . . . 0.402 ' C ' ' H ' ' D' ' 317' ' ' LYS . 14.6 mt -89.11 42.23 1.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.464 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 316' ' ' SER . . . . . 0.404 ' OG ' ' OD1' ' D' ' 314' ' ' ASP . 59.9 m -76.6 12.99 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.67 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 317' ' ' LYS . . . . . 0.402 ' H ' ' C ' ' D' ' 315' ' ' LEU . 29.1 pttt -163.29 84.58 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.944 0.402 . . . . 0.0 110.687 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -138.91 164.76 28.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.267 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -106.93 163.02 13.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.606 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -66.15 -47.77 72.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.418 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 321' ' ' ALA . . . . . 0.425 ' O ' ' OD2' ' D' ' 325' ' ' ASP . . . -62.4 -35.26 78.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.519 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 322' ' ' GLU . . . . . 0.431 ' O ' ' OG1' ' D' ' 326' ' ' THR . 12.5 mm-40 -67.05 -55.42 14.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.611 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 13.0 mt -54.76 -54.41 42.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.52 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 324' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.34 -50.22 67.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.467 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 325' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' D' ' 329' ' ' THR . 23.4 m-20 -59.23 -48.61 80.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.371 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 326' ' ' THR . . . . . 0.488 ' O ' ' N ' ' D' ' 330' ' ' SER . 8.4 m -51.78 -43.62 63.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.545 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 83.7 mt -76.47 -24.71 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.692 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 328' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -98.53 2.21 47.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.508 ' N ' ' O ' ' D' ' 325' ' ' ASP . 81.7 p -137.31 -41.66 0.57 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.684 0.278 . . . . 0.0 111.158 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 330' ' ' SER . . . . . 0.488 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.4 OUTLIER -77.79 169.75 17.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.032 0.444 . . . . 0.0 111.144 -179.321 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 331' ' ' CYS . . . . . 0.627 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 27.9 p -147.27 89.33 1.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.514 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -163.1 99.55 0.96 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.346 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 1.9 mt -38.78 -43.28 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.775 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 334' ' ' GLU . . . . . 0.428 ' OE1' ' OG1' ' D' ' 310' ' ' THR . 21.7 mt-10 -56.09 -58.97 5.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.314 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.92 -52.14 66.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.183 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 27.5 mt -50.41 -47.25 56.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.472 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -59.22 -49.16 78.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.427 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.37 -43.84 93.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.538 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 339' ' ' CYS . . . . . . . . . . . . . 94.7 m -58.49 -49.61 76.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.54 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 340' ' ' ARG . . . . . 0.663 ' NH2' ' HE2' ' D' ' 344' ' ' HIS . 19.4 mtp-105 -64.61 -35.17 80.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.511 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -59.26 -56.38 22.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.255 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 342' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -63.14 -35.03 78.94 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.249 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -58.02 -55.85 29.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.087 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 344' ' ' HIS . . . . . 0.663 ' HE2' ' NH2' ' D' ' 340' ' ' ARG . 11.5 m-70 -58.78 -46.15 88.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.2 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 345' ' ' ARG . . . . . 0.52 ' O ' ' N ' ' D' ' 349' ' ' VAL . 0.0 OUTLIER -52.63 -40.13 62.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.106 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 10.1 mtp85 -66.35 -43.6 85.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.487 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.79 -23.08 52.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.199 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 348' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' D' ' 344' ' ' HIS . 48.0 mmtt -93.65 -21.81 19.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.452 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 349' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' D' ' 345' ' ' ARG . 6.2 t -134.2 112.58 16.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.524 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 350' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -79.53 56.19 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.591 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 351' ' ' HIS . . . . . . . . . . . . . 7.4 t60 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.536 -179.948 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.711 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.8 t -148.6 35.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.068 0.461 . . . . 0.0 110.428 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -167.99 101.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.467 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -71.65 -165.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.552 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -131.81 174.52 10.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.438 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -126.13 92.93 3.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.497 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.5 mt -97.1 44.6 1.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.476 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.0 p -85.38 11.62 9.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.9 pttp -165.53 82.69 0.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.641 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -130.24 175.91 8.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.288 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -117.64 163.82 15.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.646 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.474 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 15.6 t80 -62.12 -49.84 74.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.551 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.81 -44.17 96.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.703 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -56.15 -55.52 32.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.687 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 mt -57.75 -52.54 65.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.543 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.636 ' NH1' HD22 ' A' ' 28' ' ' ASN . 7.6 tpt85 -57.66 -42.71 84.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.438 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.439 ' O ' ' OG1' ' A' ' 29' ' ' THR . 39.7 m-20 -64.21 -48.2 76.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.349 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.571 ' O ' ' N ' ' A' ' 30' ' ' SER . 25.7 m -54.28 -49.05 70.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.635 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.4 mt -71.58 -27.7 29.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.928 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.636 HD22 ' NH1' ' A' ' 24' ' ' ARG . 1.0 OUTLIER -87.41 -8.6 56.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.052 -179.567 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 64.5 p -127.45 -49.39 1.41 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.66 0.267 . . . . 0.0 111.148 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 26' ' ' THR . 2.0 t -60.72 167.61 2.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.971 0.415 . . . . 0.0 110.958 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.4 m -144.26 36.87 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.376 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.51 100.6 9.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.6 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.4 mt -42.22 -34.15 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.509 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -63.21 -56.02 20.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.177 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.492 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 9.1 mt -60.91 -41.04 95.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.085 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.0 mt -57.01 -43.31 81.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.447 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.18 -49.2 68.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.508 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.41 -45.34 93.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.537 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 73.2 m -59.82 -50.52 73.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.357 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 -60.26 -34.8 74.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.498 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -63.09 -58.28 7.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.738 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -59.5 -36.81 76.77 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.692 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.27 -45.17 94.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.383 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.461 ' HE2' ' CD2' ' B' ' 173' ' ' LEU . 17.0 m170 -72.72 -54.98 7.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.392 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 86.0 mtt-85 -45.76 -48.82 15.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.608 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 67.0 mtt-85 -61.34 -20.76 63.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.688 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 44' ' ' HIS . 85.7 mt -97.4 -32.7 11.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.667 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -77.91 -29.67 50.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.662 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -41.93 128.69 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.591 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 17.3 t80 69.21 67.58 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.457 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.576 179.938 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.542 ' N ' ' O ' ' B' ' 117' ' ' VAL . 28.4 ttp . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . 0.404 ' N ' ' CG ' ' B' ' 101' ' ' MET . 34.1 tt0 -126.62 127.76 45.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.424 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 13.8 pt -127.37 151.94 34.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.682 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -102.99 147.72 26.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.567 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 22.5 t -128.34 106.99 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.344 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -97.22 128.58 44.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.439 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 24.5 p -88.65 -165.17 1.26 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.52 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.627 ' CD2' ' H ' ' B' ' 108' ' ' LEU . 0.5 OUTLIER -83.08 -19.24 37.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 19.0 p -88.12 -5.47 58.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.497 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.01 9.32 62.41 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -79.71 122.7 26.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 110.486 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 19.2 m -99.81 144.91 28.33 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.621 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -133.71 123.8 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.396 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 5.8 m -88.29 101.67 14.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.597 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 11.1 mp -104.46 132.09 51.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.65 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -88.14 125.14 34.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.078 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' B' ' 101' ' ' MET . 11.7 m -147.16 -170.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.944 0.402 . . . . 0.0 110.886 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -139.2 146.94 51.22 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.892 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -47.18 -30.8 11.13 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 122.382 2.055 . . . . 0.0 112.454 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.5 p -87.19 18.17 3.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.193 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -92.59 136.26 33.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 0.0 110.356 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' THR . . . . . 0.528 ' OG1' ' ND2' ' B' ' 125' ' ' ASN . 3.7 p -82.61 138.62 34.15 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.945 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 35.2 mm -46.71 -37.24 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.258 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -58.09 -46.81 84.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.039 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.528 ' ND2' ' OG1' ' B' ' 122' ' ' THR . 60.5 m-80 -60.06 -36.01 76.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.069 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 26.7 t -64.61 -46.7 91.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.165 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -55.64 -36.81 67.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.038 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.55 -40.48 89.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.239 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -60.86 -41.74 96.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.361 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 52.1 mt -66.63 -44.84 89.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.334 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . 0.403 ' OE1' ' C ' ' B' ' 131' ' ' GLN . 0.9 OUTLIER -55.5 -33.2 63.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.386 179.885 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -74.75 -35.42 62.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.492 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -70.35 -61.89 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -87.35 -106.0 0.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.531 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -173.71 9.45 0.03 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.416 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 42.7 mt -79.71 116.18 59.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.96 152.32 75.87 Favored 'Trans proline' 0 C--N 1.314 -1.251 0 C-N-CA 121.553 1.502 . . . . 0.0 111.588 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.478 ' O ' ' N ' ' B' ' 140' ' ' GLN . 2.6 Cg_endo -47.83 -62.52 0.43 Allowed 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.433 2.088 . . . . 0.0 111.885 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -44.83 -17.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.718 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' B' ' 138' ' ' PRO . 26.0 mt-30 -110.98 35.65 3.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.669 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' B' ' 138' ' ' PRO . 70.4 mt-30 -134.43 148.24 50.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.559 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . 0.52 HH12 ' CG ' ' A' ' 28' ' ' ASN . 22.5 ttt180 -159.63 115.08 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.25 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.2 mt -95.51 138.26 33.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.6 mt -127.39 141.24 46.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.296 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -162.88 152.55 15.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.633 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 58.73 20.81 8.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.06 23.77 70.81 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -145.78 147.22 31.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.815 0.34 . . . . 0.0 110.778 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . 0.521 ' NE2' ' O ' ' B' ' 150' ' ' LEU . 3.1 tm0? -79.5 136.57 36.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.212 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.521 ' O ' ' NE2' ' B' ' 149' ' ' GLN . 11.7 mt -81.47 139.64 35.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.845 0.355 . . . . 0.0 110.891 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . 0.418 ' OE2' ' OD1' ' C' ' 260' ' ' ASN . 22.3 mm-40 -80.69 160.4 25.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.572 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' B' ' 152' ' ' ASP . 0.0 OUTLIER -86.6 -15.97 38.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.659 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -107.05 36.94 4.08 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 20.7 mmt-85 -139.71 169.13 18.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.671 0.272 . . . . 0.0 110.396 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 155' ' ' THR . . . . . 0.427 ' OG1' ' OG ' ' B' ' 157' ' ' SER . 18.8 p -110.15 162.11 14.91 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.723 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 43.4 mt -60.24 -27.61 67.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.739 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 157' ' ' SER . . . . . 0.427 ' OG ' ' OG1' ' B' ' 155' ' ' THR . 15.8 p -68.31 -42.56 79.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.798 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -52.73 -32.94 45.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.708 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -91.16 2.89 56.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.731 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' B' ' 160' ' ' ASN . 1.7 t30 62.15 26.65 16.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.666 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . 0.416 HG23 HD11 ' B' ' 161' ' ' ILE . 71.1 mt -72.95 112.01 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.464 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -91.16 -169.03 2.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.612 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.27 155.96 38.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.735 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 61.29 32.82 19.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.815 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 38.2 m -88.98 130.99 35.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.597 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 21.0 m -88.49 111.25 21.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.613 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 4.9 mt -100.62 131.05 46.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.604 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 168' ' ' HIS . . . . . 0.667 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -84.86 112.95 21.0 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.817 0.341 . . . . 0.0 110.216 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 43.0 tp -89.93 131.46 35.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.416 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.27 140.33 43.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.324 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . 0.448 ' N ' ' CD1' ' B' ' 171' ' ' LEU . 8.3 mp -77.05 104.56 7.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.527 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -63.04 95.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.516 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . 0.461 ' CD2' ' HE2' ' A' ' 44' ' ' HIS . 29.1 mt -59.55 125.15 22.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.488 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 13.9 ttp-105 -44.4 139.85 2.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.579 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 167.6 124.2 0.71 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.637 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 201' ' ' MET . . . . . 0.529 ' N ' ' O ' ' C' ' 217' ' ' VAL . 31.7 ttp . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -67.49 123.74 21.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.625 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 17.9 pt -132.1 149.51 32.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.577 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -100.66 146.38 27.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.744 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 98.5 t -134.36 105.0 6.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.215 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -83.44 137.33 33.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.952 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 33.0 p -95.44 -167.29 1.59 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.425 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 208' ' ' LEU . . . . . 0.646 ' CD1' HH21 ' D' ' 340' ' ' ARG . 0.3 OUTLIER -88.48 21.75 2.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.485 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 5.4 p -136.53 9.88 3.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.506 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 89.6 -31.41 5.23 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -46.16 135.14 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.347 . . . . 0.0 110.526 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 33.8 m -115.1 126.18 54.36 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.597 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 1.5 mt -106.96 125.05 63.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.635 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 8.8 m -95.45 118.66 32.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.091 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 19.2 mt -128.35 136.31 50.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.941 0.401 . . . . 0.0 110.897 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -88.91 131.49 35.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.051 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 217' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' C' ' 201' ' ' MET . 33.4 m -149.37 -168.84 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 0.0 110.851 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 218' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -141.12 147.44 47.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.89 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.46 -28.38 8.59 Favored 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.406 2.071 . . . . 0.0 112.489 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 220' ' ' SER . . . . . 0.427 ' H ' ' HG ' ' C' ' 220' ' ' SER . 0.3 OUTLIER -85.61 8.63 18.76 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.149 -179.478 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 221' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -83.23 135.24 34.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.809 0.338 . . . . 0.0 110.384 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 9.1 p -84.37 138.07 33.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.881 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 223' ' ' ILE . . . . . 0.431 HD11 HG21 ' C' ' 223' ' ' ILE . 23.4 mm -45.42 -48.24 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.294 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -51.67 -37.74 51.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.117 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 225' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -64.79 -43.0 94.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.007 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 18.5 t -60.83 -38.31 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.926 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 227' ' ' LYS . . . . . 0.426 ' NZ ' ' OD1' ' C' ' 252' ' ' ASP . 77.5 mttt -62.02 -39.77 93.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.134 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -62.33 -44.97 95.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.131 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -59.47 -42.85 93.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.191 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 32.9 mt -64.24 -29.35 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.224 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -68.26 -41.21 81.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.141 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -67.91 -26.88 66.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.368 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm -80.14 -61.83 1.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.56 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -87.12 -99.48 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.588 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 172.98 13.05 0.02 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 236' ' ' ILE . . . . . 0.516 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 55.1 mt -82.93 129.01 63.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -55.77 145.78 70.04 Favored 'Trans proline' 0 N--CA 1.489 1.256 0 C-N-CA 121.621 1.547 . . . . 0.0 111.615 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -52.25 -32.77 52.15 Favored 'Trans proline' 0 C--N 1.311 -1.422 0 C-N-CA 122.108 1.872 . . . . 0.0 111.876 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 239' ' ' ASP . . . . . 0.522 ' C ' ' H ' ' C' ' 241' ' ' GLN . 2.5 m-20 -69.02 -52.3 30.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.71 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 240' ' ' GLN . . . . . 0.499 ' OE1' ' N ' ' C' ' 240' ' ' GLN . 1.7 mp0 -72.13 37.48 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.687 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 241' ' ' GLN . . . . . 0.522 ' H ' ' C ' ' C' ' 239' ' ' ASP . 69.9 mt-30 -134.77 157.98 45.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.971 0.415 . . . . 0.0 110.821 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 242' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -170.27 154.45 4.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.953 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 15.0 mt -129.73 142.98 50.61 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.143 0.497 . . . . 0.0 111.405 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.8 mt -128.67 134.57 64.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.823 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 245' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -119.51 74.08 0.99 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.858 0.361 . . . . 0.0 110.993 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 55.23 87.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.059 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 247' ' ' GLY . . . . . 0.643 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 55.8 38.43 73.38 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -150.96 91.68 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.704 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -71.18 122.99 21.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.054 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 9.2 mt -84.18 131.47 34.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 110.859 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -82.53 161.04 22.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.582 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 252' ' ' ASP . . . . . 0.426 ' OD1' ' NZ ' ' C' ' 227' ' ' LYS . 0.6 OUTLIER -75.9 -22.26 56.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.756 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -103.56 41.48 2.12 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -139.62 175.19 9.78 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 31.1 p -117.72 165.53 13.51 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.701 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.17 -17.68 64.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.763 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 257' ' ' SER . . . . . 0.528 ' C ' ' H ' ' C' ' 259' ' ' TYR . 61.5 p -79.16 -30.6 43.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.625 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -69.82 13.21 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.582 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 259' ' ' TYR . . . . . 0.528 ' H ' ' C ' ' C' ' 257' ' ' SER . 82.3 m-85 -140.65 8.67 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.649 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 260' ' ' ASN . . . . . 0.506 HD21 ' C ' ' C' ' 259' ' ' TYR . 0.7 OUTLIER 56.19 31.87 19.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.61 179.865 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 79.6 mt -79.6 95.36 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.512 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -77.79 -157.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.567 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -81.82 162.15 22.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.692 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 55.51 37.96 29.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.8 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 39.4 m -95.96 131.0 42.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.542 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 7.6 m -92.98 112.83 24.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.553 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 6.6 mt -103.65 150.05 24.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.585 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 268' ' ' HIS . . . . . 0.696 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.0 OUTLIER -98.52 113.54 25.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.134 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 35.7 tp -85.41 127.63 34.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.234 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 2.5 t -128.76 155.08 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.564 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 271' ' ' LEU . . . . . . . . . . . . . 12.9 mt -95.9 98.35 10.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.489 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -49.25 117.63 2.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.589 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 273' ' ' LEU . . . . . . . . . . . . . 20.5 mt -98.24 106.34 18.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.46 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -124.97 23.25 7.86 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.38 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 275' ' ' GLY . . . . . 0.415 ' O ' ' OXT' ' C' ' 276' ' ' CYS . . . 74.43 156.89 5.05 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 276' ' ' CYS . . . . . 0.415 ' OXT' ' O ' ' C' ' 275' ' ' GLY . 9.4 t . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.574 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.633 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 17.5 p -79.32 79.54 5.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.849 0.357 . . . . 0.0 110.571 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 311' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' D' ' 312' ' ' LYS . 86.2 mttt -82.62 88.4 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.629 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 312' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' D' ' 311' ' ' LYS . 1.0 OUTLIER 44.06 -171.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.596 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -103.47 134.75 46.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.475 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 314' ' ' ASP . . . . . 0.492 ' N ' ' OD1' ' D' ' 314' ' ' ASP . 17.1 p-10 -79.06 93.01 5.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.412 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 15.0 mt -110.84 39.95 2.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.585 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 81.2 p -96.05 18.74 12.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.792 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -138.86 3.68 2.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.774 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -75.47 -177.39 3.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.676 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -132.79 167.66 19.76 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.482 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 320' ' ' TYR . . . . . 0.46 ' C ' ' CD1' ' D' ' 320' ' ' TYR . 7.3 t80 -58.13 -48.17 81.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.662 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -59.52 -46.52 88.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.02 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -61.36 -53.74 52.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.105 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 16.3 mt -59.96 -52.55 64.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.041 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 324' ' ' ARG . . . . . 0.433 ' O ' ' ND2' ' D' ' 328' ' ' ASN . 1.2 tpt180 -52.82 -44.8 66.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.453 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 325' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' D' ' 329' ' ' THR . 25.9 t70 -63.77 -48.04 78.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.344 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 326' ' ' THR . . . . . 0.52 ' O ' ' N ' ' D' ' 330' ' ' SER . 3.7 m -52.92 -41.51 64.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.565 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 94.8 mt -75.68 -30.22 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.515 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 328' ' ' ASN . . . . . 0.584 ' N ' HD21 ' D' ' 328' ' ' ASN . 0.9 OUTLIER -92.24 -0.45 57.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.926 -179.794 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.463 ' N ' ' O ' ' D' ' 325' ' ' ASP . 82.5 p -131.79 -46.8 0.95 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.072 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 330' ' ' SER . . . . . 0.52 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.4 OUTLIER -74.34 157.03 36.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.014 0.435 . . . . 0.0 111.141 -179.366 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 331' ' ' CYS . . . . . 0.643 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 25.4 p -135.92 88.08 2.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.527 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -162.27 99.15 1.05 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.999 0.428 . . . . 0.0 110.48 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . 0.418 ' H ' HG13 ' D' ' 333' ' ' ILE . 9.8 mt -38.93 -31.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.771 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -67.8 -59.94 2.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.505 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 335' ' ' LEU . . . . . 0.497 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 3.9 mt -61.84 -49.59 75.68 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 336' ' ' LEU . . . . . 0.652 ' CB ' HH22 ' D' ' 340' ' ' ARG . 49.8 mt -50.55 -55.01 18.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.088 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 337' ' ' ALA . . . . . 0.465 ' N ' ' NH2' ' D' ' 340' ' ' ARG . . . -55.34 -44.72 76.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.038 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -56.71 -39.72 74.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.729 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 339' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 24.2 m -60.05 -53.45 57.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.798 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 340' ' ' ARG . . . . . 0.652 HH22 ' CB ' ' D' ' 336' ' ' LEU . 0.1 OUTLIER -51.12 -46.17 61.82 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.014 179.445 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -55.11 -60.54 3.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.141 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 342' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -66.01 -39.86 90.61 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.885 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -62.02 -33.08 73.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.421 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -81.79 -48.23 11.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.115 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -51.13 -41.36 60.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.998 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 -58.08 -34.06 69.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.503 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 14.7 mt -78.73 -58.9 3.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.411 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -48.15 -51.53 24.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.38 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 349' ' ' VAL . . . . . 0.655 ' CG2' ' H ' ' D' ' 350' ' ' TYR . 6.3 p -68.13 -144.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.236 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 350' ' ' TYR . . . . . 0.655 ' H ' ' CG2' ' D' ' 349' ' ' VAL . 0.5 OUTLIER -157.91 129.29 6.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.741 0.305 . . . . 0.0 110.412 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 351' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.57 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . . . . . . 0 CA--C 1.526 0.728 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.2 p -46.39 93.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.373 . . . . 0.0 110.516 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 9' ' ' GLY . 14.4 pttp -84.41 115.38 22.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.54 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.502 ' C ' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -153.94 157.79 39.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.485 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.54 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -99.29 134.26 42.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.582 -179.877 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -79.09 92.9 5.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.565 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.8 mt -95.8 44.42 1.08 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.368 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.6 t -82.62 14.3 3.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.735 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 pttp -170.55 84.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.757 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -133.04 162.72 30.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.159 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -106.37 161.59 14.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.691 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.426 ' OH ' ' N ' ' B' ' 176' ' ' GLY . 18.8 t80 -59.35 -50.91 72.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.41 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.77 -47.74 79.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.761 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -55.27 -58.2 8.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.8 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.3 mt -53.31 -58.84 5.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.604 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.52 ' NH1' ' O ' ' B' ' 173' ' ' LEU . 10.5 tpt180 -53.01 -51.67 60.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.508 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.452 ' O ' ' OG1' ' A' ' 29' ' ' THR . 7.7 m-20 -55.46 -50.03 70.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.522 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.612 ' O ' ' N ' ' A' ' 30' ' ' SER . 14.9 m -52.38 -54.08 36.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.821 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.93 -24.15 34.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.683 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.678 HD22 HH12 ' B' ' 142' ' ' ARG . 0.8 OUTLIER -92.4 -9.77 40.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.346 -179.331 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 18.9 p -130.44 -3.93 4.29 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.972 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.612 ' N ' ' O ' ' A' ' 26' ' ' THR . 4.3 t -116.17 150.54 37.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.067 0.461 . . . . 0.0 110.953 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.4 p -122.94 18.0 10.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.103 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -79.26 95.88 5.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.813 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.412 HG21 HD11 ' A' ' 33' ' ' ILE . 4.9 mm -42.29 -39.74 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.534 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.559 ' H ' ' CD ' ' A' ' 34' ' ' GLU . 5.6 mp0 -57.89 -58.75 7.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.26 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.497 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 12.8 mt -58.55 -39.81 81.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.314 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.8 mt -56.14 -43.26 78.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.358 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.96 -49.16 54.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.518 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.31 -46.52 89.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.449 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 72.3 m -59.32 -53.24 60.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.178 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.6 mtp85 -53.96 -39.88 66.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.328 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -60.21 -57.81 11.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.61 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -62.58 -36.12 81.7 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.458 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -62.63 -38.9 92.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.133 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -68.83 -47.7 65.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.256 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.542 ' O ' ' N ' ' A' ' 49' ' ' VAL . 47.6 mtm180 -54.01 -51.14 64.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.511 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.4 mtp85 -55.95 -26.89 49.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.742 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -86.72 -58.53 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.457 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.463 ' C ' ' H ' ' A' ' 50' ' ' TYR . 53.2 mttm -69.72 -46.0 66.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.755 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.542 ' N ' ' O ' ' A' ' 45' ' ' ARG . 3.5 t 63.32 1.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.515 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.519 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 2.7 m-85 -87.98 74.97 8.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.301 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 50' ' ' TYR . 76.0 m80 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.495 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.539 ' N ' ' O ' ' B' ' 117' ' ' VAL . 35.1 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -106.76 137.85 44.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.5 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 20.4 pt -144.6 152.34 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.618 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -102.28 158.17 16.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.723 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 97.3 t -144.63 111.33 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.393 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -92.52 133.78 35.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.705 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 50.1 p -84.01 -145.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.314 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.599 ' CD2' ' N ' ' B' ' 108' ' ' LEU . 0.9 OUTLIER -83.59 -57.89 3.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.468 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 17.6 p -59.95 -44.99 94.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.672 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 149.82 -15.13 1.05 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -44.68 124.85 4.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.795 0.331 . . . . 0.0 110.518 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 17.0 m -103.9 147.79 26.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.677 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 4.9 mt -133.31 129.99 57.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.471 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 10.2 m -98.23 120.32 38.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.501 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 23.3 mt -118.08 134.75 54.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.642 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -94.63 79.41 3.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.351 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' B' ' 101' ' ' MET . 8.1 m -100.32 -167.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.831 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.516 ' OE1' ' N ' ' B' ' 101' ' ' MET . 9.9 mm-40 -143.23 150.77 53.23 Favored Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.891 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.56 -39.19 22.59 Favored 'Trans proline' 0 C--N 1.309 -1.529 0 C-N-CA 122.581 2.187 . . . . 0.0 112.619 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 2.5 p -82.55 22.81 0.83 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.347 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . 0.495 ' OD2' ' N ' ' B' ' 118' ' ' GLU . 25.5 m-20 -96.46 133.14 41.27 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.318 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 7.5 p -80.77 133.75 35.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . 0.433 HD12 HG22 ' B' ' 123' ' ' ILE . 34.4 mm -41.97 -48.88 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.404 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -51.04 -43.29 60.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.193 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.499 ' C ' HD21 ' B' ' 125' ' ' ASN . 0.1 OUTLIER -60.25 -39.5 86.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.053 179.491 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 14.7 t -62.4 -43.81 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.913 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -56.32 -40.29 74.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.039 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.98 98.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.348 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -60.76 -45.14 95.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.435 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 15.3 mt -62.04 -47.58 92.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.375 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . 0.434 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.6 OUTLIER -54.32 -32.67 57.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.289 179.852 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -74.15 -27.59 60.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.485 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 45.0 mmtt -79.56 -63.83 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.482 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -84.65 -109.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.518 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -168.35 10.12 0.05 OUTLIER Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.542 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 36.2 mt -80.09 115.56 55.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -63.09 152.08 81.43 Favored 'Trans proline' 0 C--N 1.315 -1.218 0 C-N-CA 121.474 1.449 . . . . 0.0 111.584 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.522 ' O ' ' N ' ' B' ' 140' ' ' GLN . 2.6 Cg_endo -47.8 -66.93 0.12 Allowed 'Trans proline' 0 C--N 1.31 -1.458 0 C-N-CA 122.453 2.102 . . . . 0.0 111.93 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -43.58 -17.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' B' ' 138' ' ' PRO . 69.8 mt-30 -110.6 34.88 3.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.624 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.542 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 77.2 mt-30 -134.52 159.76 40.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.606 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . 0.678 HH12 HD22 ' A' ' 28' ' ' ASN . 19.4 ttm180 -165.77 129.61 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.255 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 15.8 mt -107.86 128.95 55.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.096 0.474 . . . . 0.0 110.993 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.9 mt -125.32 125.05 68.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.257 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . 0.423 ' CG ' ' N ' ' B' ' 146' ' ' ALA . 88.4 t80 -139.62 159.45 42.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.435 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . 0.423 ' N ' ' CG ' ' B' ' 145' ' ' PHE . . . 46.02 28.88 0.68 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.618 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 65.91 36.61 92.33 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -150.8 137.19 18.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.757 0.313 . . . . 0.0 110.396 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -74.71 130.66 39.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.368 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 15.7 mt -82.93 138.03 33.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.934 0.397 . . . . 0.0 110.729 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.4 159.26 34.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.501 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.03 -18.59 30.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.727 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -105.81 37.68 3.69 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -139.52 167.47 22.01 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 155' ' ' THR . . . . . 0.423 ' OG1' ' OD2' ' B' ' 158' ' ' ASP . 11.6 p -106.82 161.92 14.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.908 0.385 . . . . 0.0 110.801 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 81.0 mt -57.35 -41.01 79.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.675 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 48.3 t -55.12 -44.17 74.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . 0.423 ' OD2' ' OG1' ' B' ' 155' ' ' THR . 41.0 m-20 -49.38 -38.2 27.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.738 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -89.94 18.86 5.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.622 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . 0.457 ' N ' ' OD1' ' B' ' 160' ' ' ASN . 1.3 m-20 49.16 30.01 2.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 89.9 mt -80.45 108.67 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.375 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -89.35 -156.76 0.42 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.753 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 6.0 ptp85 -80.83 159.91 24.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.831 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 60.26 35.05 20.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.856 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 19.8 m -95.01 122.36 37.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.464 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 21.8 m -95.35 111.96 23.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.504 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 3.7 mp -100.05 159.27 15.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.619 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 168' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -104.89 118.95 37.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.094 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . 0.4 HD12 ' H ' ' B' ' 170' ' ' VAL . 49.1 tp -92.74 134.47 35.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.036 -179.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . 0.4 ' H ' HD12 ' B' ' 169' ' ' LEU . 2.4 t -134.81 139.87 46.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.995 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 8.6 mp -74.58 110.03 8.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.828 0.347 . . . . 0.0 110.732 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' B' ' 173' ' ' LEU . 57.5 ttt180 -71.32 74.16 0.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.412 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . 0.52 ' O ' ' NH1' ' A' ' 24' ' ' ARG . 8.2 mt -41.82 164.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.744 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -71.57 125.95 28.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.54 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . -179.78 158.92 23.01 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . 0.426 ' N ' ' OH ' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.526 0.723 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 201' ' ' MET . . . . . 0.515 ' N ' ' O ' ' C' ' 217' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -91.17 115.1 27.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.591 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 20.9 pt -104.63 150.18 7.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.637 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -101.13 143.18 31.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.566 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 6.2 t -131.66 114.58 25.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.451 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 206' ' ' LYS . . . . . 0.493 ' HZ1' ' CG2' ' C' ' 266' ' ' THR . 46.4 mttp -97.03 132.08 43.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.718 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 65.2 p -88.11 -154.79 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.412 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 208' ' ' LEU . . . . . 0.614 ' CD2' ' H ' ' C' ' 208' ' ' LEU . 1.1 mm? -78.16 -52.06 9.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 11.0 p -66.63 -1.45 3.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.596 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 87.23 26.51 30.65 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -81.99 113.61 20.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.549 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 8.8 m -85.06 149.5 25.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.633 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 3.0 mt -143.95 127.62 12.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 27.7 m -92.87 116.61 29.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.262 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 25.2 mt -121.93 128.65 51.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.839 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -79.44 122.4 26.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.253 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 217' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' C' ' 201' ' ' MET . 14.4 m -147.41 176.92 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.966 0.412 . . . . 0.0 110.833 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 218' ' ' GLU . . . . . 0.55 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 75.4 mt-10 -131.62 150.67 76.97 Favored Pre-proline 0 CA--C 1.53 0.202 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.912 179.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.38 -25.72 3.49 Favored 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 122.532 2.154 . . . . 0.0 112.451 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.2 p -90.86 11.57 22.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.087 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 221' ' ' ASP . . . . . 0.55 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 8.8 m-20 -83.45 134.52 34.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.859 0.361 . . . . 0.0 110.252 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 222' ' ' THR . . . . . 0.573 ' HG1' ' H ' ' C' ' 225' ' ' ASN . 11.4 p -83.34 137.15 34.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.833 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 223' ' ' ILE . . . . . 0.431 HD12 HG22 ' C' ' 223' ' ' ILE . 23.9 mm -45.25 -46.26 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.297 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -55.0 -35.58 64.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.111 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 225' ' ' ASN . . . . . 0.573 ' H ' ' HG1' ' C' ' 222' ' ' THR . 13.8 t-20 -65.11 -48.91 71.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.024 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 22.1 t -56.29 -55.8 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.916 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 227' ' ' LYS . . . . . 0.4 ' CA ' HE22 ' C' ' 241' ' ' GLN . 46.0 mttm -47.64 -36.12 10.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.005 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -62.84 -45.14 93.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.003 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -59.89 -35.35 74.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.207 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 5.8 mt -70.39 -31.72 47.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.29 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -70.56 -27.85 64.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.322 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -80.5 -31.21 37.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.684 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -81.3 -57.46 3.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.71 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -88.7 -99.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.566 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 175.34 8.14 0.02 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 236' ' ' ILE . . . . . 0.427 ' O ' ' OE1' ' C' ' 241' ' ' GLN . 14.3 mt -80.17 115.93 57.96 Favored Pre-proline 0 C--N 1.329 -0.301 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.14 149.27 81.3 Favored 'Trans proline' 0 C--N 1.315 -1.211 0 C-N-CA 121.547 1.498 . . . . 0.0 111.7 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -50.51 -39.5 55.02 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.384 2.056 . . . . 0.0 111.983 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.41 -40.41 95.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.791 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -83.91 38.14 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.732 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 241' ' ' GLN . . . . . 0.427 ' OE1' ' O ' ' C' ' 236' ' ' ILE . 33.6 mt-30 -134.66 153.85 51.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.715 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 242' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -156.33 95.87 1.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.851 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 243' ' ' LEU . . . . . 0.41 ' N ' ' CD1' ' C' ' 243' ' ' LEU . 7.9 mp -77.01 132.09 38.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.193 0.521 . . . . 0.0 110.968 -179.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.7 mt -135.24 118.06 22.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.21 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 245' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -107.92 73.9 0.92 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.667 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 69.27 88.11 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.54 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 247' ' ' GLY . . . . . 0.482 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 45.18 30.75 2.82 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -134.22 94.19 3.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.781 0.324 . . . . 0.0 110.568 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -74.51 119.85 19.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.228 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 11.0 mt -81.44 135.05 35.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.904 0.383 . . . . 0.0 110.827 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 251' ' ' GLU . . . . . 0.474 ' OE1' ' NH1' ' C' ' 254' ' ' ARG . 76.8 mt-10 -82.26 161.5 22.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.421 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.19 -22.77 41.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -102.62 41.44 2.13 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.324 -0.711 . . . . 0.0 111.324 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 254' ' ' ARG . . . . . 0.474 ' NH1' ' OE1' ' C' ' 251' ' ' GLU . 27.3 mmt-85 -139.62 176.07 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 33.9 p -117.96 165.97 13.08 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.853 0.359 . . . . 0.0 110.72 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.77 -35.91 81.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.714 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 257' ' ' SER . . . . . 0.516 ' C ' ' H ' ' C' ' 259' ' ' TYR . 19.1 t -65.49 -30.75 71.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.82 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -69.73 11.09 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.721 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 259' ' ' TYR . . . . . 0.516 ' H ' ' C ' ' C' ' 257' ' ' SER . 60.2 m-85 -140.59 14.16 2.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.478 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 21.3 m120 55.55 26.45 9.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.742 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 94.7 mt -77.75 102.78 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.494 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -81.62 -157.54 0.19 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.61 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -84.68 158.76 20.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.689 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 56.69 29.43 15.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.784 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 41.2 m -80.69 131.4 35.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.537 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 266' ' ' THR . . . . . 0.493 ' CG2' ' HZ1' ' C' ' 206' ' ' LYS . 27.7 m -87.83 113.06 23.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.605 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 11.7 mt -100.69 154.16 18.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.445 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 268' ' ' HIS . . . . . 0.671 ' N ' ' HD1' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -113.0 100.17 8.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.24 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 269' ' ' LEU . . . . . 0.442 ' C ' ' CD2' ' C' ' 269' ' ' LEU . 6.4 tt -80.95 124.84 29.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.625 -179.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 4.6 t -116.28 148.57 18.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.649 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 271' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.59 95.53 8.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.2 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -50.19 137.4 17.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.487 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 273' ' ' LEU . . . . . 0.455 ' CD2' ' HE2' ' D' ' 344' ' ' HIS . 20.7 mt -117.13 170.09 8.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.529 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 -167.92 133.42 1.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.606 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . -81.31 -145.71 4.8 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 98.3 m . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.548 -180.0 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 309' ' ' GLY . . . . . 0.516 ' O ' ' NZ ' ' D' ' 312' ' ' LYS . . . . . . . . 0 CA--C 1.524 0.61 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 34.7 p -88.5 87.06 7.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 0.0 110.599 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 311' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -172.27 52.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.537 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 312' ' ' LYS . . . . . 0.516 ' NZ ' ' O ' ' D' ' 309' ' ' GLY . 11.8 mptt -68.17 166.41 16.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.442 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 313' ' ' TYR . . . . . 0.482 ' CD1' ' N ' ' D' ' 313' ' ' TYR . 0.5 OUTLIER -96.12 120.71 36.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.536 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.84 92.87 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.512 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 11.0 mt -98.25 45.1 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.479 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 8.5 t -82.62 12.6 4.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.737 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -174.04 87.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 110.791 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -130.19 165.66 21.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.246 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 60.8 mmtt -105.06 163.71 12.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.736 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -63.9 -49.41 72.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.552 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -61.24 -39.62 91.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.655 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -61.67 -55.17 33.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.69 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 17.2 mt -56.67 -59.56 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.405 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 324' ' ' ARG . . . . . 0.518 ' O ' ' ND2' ' D' ' 328' ' ' ASN . 0.0 OUTLIER -53.14 -52.16 59.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.541 -179.876 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 325' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' D' ' 329' ' ' THR . 10.7 t70 -57.11 -49.08 77.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.596 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 326' ' ' THR . . . . . 0.549 ' O ' ' N ' ' D' ' 330' ' ' SER . 53.1 m -51.44 -48.7 62.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.654 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 94.8 mt -69.35 -33.29 56.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.583 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 328' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' D' ' 324' ' ' ARG . 1.3 m-80 -87.06 -3.23 59.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.176 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.453 ' N ' ' O ' ' D' ' 325' ' ' ASP . 71.4 p -127.26 -16.09 5.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.869 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 330' ' ' SER . . . . . 0.549 ' N ' ' O ' ' D' ' 326' ' ' THR . 4.0 t -110.24 175.2 5.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.991 0.424 . . . . 0.0 110.95 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 331' ' ' CYS . . . . . 0.482 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 14.0 p -143.29 10.83 1.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.09 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 332' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' D' ' 333' ' ' ILE . 6.1 m-20 -72.09 92.06 1.3 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.493 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' D' ' 332' ' ' ASP . 2.3 mt -38.38 -41.05 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.829 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -56.42 -57.18 13.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.137 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 10.9 mt -59.05 -43.06 91.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.912 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 85.7 mt -52.2 -44.09 64.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.423 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -68.08 -49.21 62.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.596 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -60.02 -45.36 93.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.362 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 339' ' ' CYS . . . . . . . . . . . . . 90.2 m -59.03 -53.5 57.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.229 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 14.9 mtp-105 -52.54 -42.77 64.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.276 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -58.33 -56.07 26.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 342' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -69.92 -34.68 73.8 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.742 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -58.45 -41.57 85.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.536 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 344' ' ' HIS . . . . . 0.455 ' HE2' ' CD2' ' C' ' 273' ' ' LEU . 11.7 m-70 -76.72 -52.45 9.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.307 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -46.62 -40.86 13.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.218 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 68.5 mtt-85 -61.39 -36.12 79.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.468 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 91.5 mt -84.11 -26.91 28.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.554 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 348' ' ' LYS . . . . . 0.485 ' O ' ' CE1' ' D' ' 350' ' ' TYR . 15.8 tptm -79.31 -57.49 3.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.504 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 349' ' ' VAL . . . . . . . . . . . . . 4.7 t -79.99 105.75 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.522 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 350' ' ' TYR . . . . . 0.485 ' CE1' ' O ' ' D' ' 348' ' ' LYS . 16.2 m-85 -79.75 74.09 6.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.552 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 351' ' ' HIS . . . . . 0.521 ' O ' ' ND1' ' D' ' 351' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.544 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.64 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.8 p -56.43 89.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.777 0.322 . . . . 0.0 110.651 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 12' ' ' LYS . 89.5 mttt -150.05 130.79 14.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.544 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 11' ' ' LYS . 16.3 mmtm 44.63 -172.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.622 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -112.34 131.79 55.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.513 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.416 ' OD1' ' OG ' ' A' ' 16' ' ' SER . 37.0 t0 -79.12 93.03 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.573 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.7 mt -93.84 44.69 1.13 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.458 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.416 ' OG ' ' OD1' ' A' ' 14' ' ' ASP . 48.8 m -83.78 -3.8 58.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -147.56 76.38 1.4 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.749 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -128.22 163.49 24.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.351 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -106.96 166.68 10.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.622 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -65.61 -48.1 73.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.451 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.18 -33.61 74.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.694 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.429 ' O ' ' OG1' ' A' ' 26' ' ' THR . 52.9 mm-40 -68.37 -55.75 10.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.711 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.8 mt -56.42 -56.96 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.534 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.675 ' NH1' HD22 ' A' ' 28' ' ' ASN . 14.2 tpt85 -53.04 -53.41 50.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.437 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.532 ' OD2' ' CZ ' ' C' ' 245' ' ' PHE . 4.3 t70 -54.03 -50.57 66.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.384 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.569 ' O ' ' N ' ' A' ' 30' ' ' SER . 17.7 m -50.63 -50.29 54.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.644 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.2 mt -66.75 -25.87 35.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.638 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.675 HD22 ' NH1' ' A' ' 24' ' ' ARG . 1.3 m-80 -100.29 1.86 42.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.15 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.53 ' N ' ' O ' ' A' ' 25' ' ' ASP . 75.3 p -135.85 -7.3 2.13 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.072 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.569 ' N ' ' O ' ' A' ' 26' ' ' THR . 4.7 t -111.89 169.47 8.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.984 0.421 . . . . 0.0 110.904 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.43 ' SG ' ' C ' ' B' ' 147' ' ' GLY . 40.2 m -143.22 36.08 1.36 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.323 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -107.67 99.12 8.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.703 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.7 mt -41.61 -37.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.473 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -59.5 -55.14 38.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.134 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.494 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 9.2 mt -62.25 -46.53 88.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.044 179.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.1 mt -53.07 -45.09 67.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.438 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.38 -49.06 70.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.469 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.29 -43.0 96.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.396 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 86.4 m -59.78 -53.47 57.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.249 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.0 mtp-105 -54.46 -41.09 69.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.42 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -58.43 -56.49 21.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.846 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -67.73 -37.43 82.18 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.756 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -60.13 -34.87 74.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.532 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.452 ' HE2' ' CD2' ' B' ' 173' ' ' LEU . 9.2 m-70 -83.29 -49.64 9.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -50.53 -37.99 42.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.213 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 70.9 mtt-85 -63.67 -15.93 59.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.614 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.9 mt -105.85 -23.58 12.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.599 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' A' ' 50' ' ' TYR . 65.8 mmtt -79.45 -32.26 42.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.743 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 m -43.62 89.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.623 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.54 ' N ' ' O ' ' A' ' 48' ' ' LYS . 10.3 m-85 41.29 62.2 1.56 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.653 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.54 ' N ' ' ND1' ' A' ' 51' ' ' HIS . 3.5 p-80 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.588 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.513 ' CG ' ' H ' ' B' ' 102' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . 0.513 ' H ' ' CG ' ' B' ' 101' ' ' MET . 13.8 tt0 -168.54 87.62 0.2 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.509 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 7.1 pt -100.83 153.39 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.834 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -109.35 122.09 46.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.456 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 57.3 t -108.78 107.2 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.337 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . 0.541 ' HZ2' ' CG2' ' B' ' 166' ' ' THR . 55.3 mttp -91.76 139.17 30.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.933 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 50.9 p -90.38 -146.93 0.19 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.347 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.609 ' CD2' ' H ' ' B' ' 108' ' ' LEU . 0.7 OUTLIER -82.96 -60.95 2.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.546 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 5.6 p -56.45 -45.94 80.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.645 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 150.56 -6.92 0.68 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -45.71 112.24 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.725 0.297 . . . . 0.0 110.535 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.8 m -100.74 116.17 32.01 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.633 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 4.5 mt -105.69 130.56 56.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.434 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 7.5 m -90.24 99.89 12.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.543 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.458 ' N ' ' CD2' ' B' ' 115' ' ' LEU . 4.1 mm? -95.91 129.84 43.04 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.682 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -100.35 98.05 8.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.075 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 22.9 m -122.54 -162.56 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.528 ' N ' ' OD2' ' B' ' 121' ' ' ASP . 37.2 mm-40 -144.56 150.11 46.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.917 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.3 -40.02 27.79 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.536 2.157 . . . . 0.0 112.597 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.6 p -81.83 22.81 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.408 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . 0.528 ' OD2' ' N ' ' B' ' 118' ' ' GLU . 29.7 m-20 -97.58 135.97 38.65 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.307 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 9.7 p -80.79 133.86 35.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.949 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . 0.432 HD13 HG23 ' B' ' 123' ' ' ILE . 31.5 mm -43.69 -51.01 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.29 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -48.76 -42.17 34.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.171 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.685 HD21 ' NZ ' ' B' ' 129' ' ' LYS . 20.9 t30 -61.43 -39.53 91.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.096 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.39 -50.14 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.962 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -51.33 -39.83 57.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.203 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.29 -43.55 97.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.312 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.685 ' NZ ' HD21 ' B' ' 125' ' ' ASN . 42.0 mttp -57.75 -44.52 86.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.267 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 7.4 mt -62.38 -43.53 98.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.218 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -57.34 -28.32 63.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.192 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -79.88 -26.41 40.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.51 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -80.29 -62.1 1.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.498 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -89.92 -106.24 0.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.631 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -171.6 16.8 0.06 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.731 -0.947 . . . . 0.0 110.731 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.438 ' O ' ' OE1' ' B' ' 141' ' ' GLN . 14.8 mt -87.75 114.27 58.26 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 110.5 -0.185 . . . . 0.0 110.5 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -65.28 150.72 87.02 Favored 'Trans proline' 0 C--N 1.314 -1.274 0 C-N-CA 121.523 1.482 . . . . 0.0 111.525 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -48.51 -60.6 0.81 Allowed 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.481 2.12 . . . . 0.0 111.9 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -43.72 -26.41 0.24 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.561 HE22 ' H ' ' B' ' 174' ' ' ARG . 60.8 mm-40 -105.46 34.48 3.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.663 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' B' ' 138' ' ' PRO . 23.8 mt-30 -134.57 161.24 35.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.908 0.385 . . . . 0.0 110.624 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . 0.447 ' NH1' ' OD1' ' A' ' 28' ' ' ASN . 22.2 ttt85 -166.43 116.64 0.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.204 -179.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 17.5 mt -96.82 131.65 43.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.034 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.5 mt -123.93 134.82 65.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.23 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -153.18 150.79 29.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.818 0.342 . . . . 0.0 110.718 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 58.19 22.24 8.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.963 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . 0.43 ' C ' ' SG ' ' A' ' 31' ' ' CYS . . . 73.38 28.9 64.95 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -146.18 147.77 31.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.874 0.369 . . . . 0.0 110.656 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . 0.514 HE22 ' C ' ' B' ' 150' ' ' LEU . 0.9 OUTLIER -78.73 135.31 37.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.24 179.852 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.514 ' C ' HE22 ' B' ' 149' ' ' GLN . 20.6 mt -88.01 118.74 27.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.766 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . 0.678 ' H ' ' HH ' ' B' ' 159' ' ' TYR . 0.5 OUTLIER -59.59 160.08 7.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.559 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.89 -24.54 26.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -100.17 37.63 3.48 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -139.49 174.03 10.93 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 155' ' ' THR . . . . . 0.406 ' OG1' ' OD2' ' B' ' 158' ' ' ASP . 25.6 p -111.09 166.1 11.34 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.76 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 62.9 mt -62.5 -37.93 87.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.461 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 157' ' ' SER . . . . . 0.531 ' C ' ' H ' ' B' ' 159' ' ' TYR . 8.5 t -56.27 -31.62 63.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.812 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . 0.406 ' OD2' ' OG1' ' B' ' 155' ' ' THR . 31.5 m-20 -69.01 11.69 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.687 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . 0.678 ' HH ' ' H ' ' B' ' 151' ' ' GLU . 77.8 m-85 -140.61 3.72 1.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.559 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 6.1 m120 56.92 34.52 24.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.614 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 81.9 mt -79.5 97.28 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.493 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -79.68 -158.78 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.619 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . 0.422 ' NH1' ' OE1' ' B' ' 164' ' ' GLU . 39.7 ptt85 -83.4 158.97 21.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.666 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . 0.422 ' OE1' ' NH1' ' B' ' 163' ' ' ARG . 13.2 mt-10 63.15 23.27 13.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.746 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 50.2 m -82.32 129.92 34.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.452 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 166' ' ' THR . . . . . 0.541 ' CG2' ' HZ2' ' B' ' 106' ' ' LYS . 24.6 m -91.19 104.33 16.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.714 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 4.1 mp -96.12 147.06 24.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.498 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 168' ' ' HIS . . . . . 0.685 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -96.43 119.26 34.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.042 179.699 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 15.9 tp -99.28 111.16 23.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.475 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 1.1 t -112.17 144.09 20.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.234 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' B' ' 173' ' ' LEU . 8.8 mp -82.24 91.13 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.567 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . 0.518 ' CG ' HH22 ' A' ' 24' ' ' ARG . 65.7 ttt180 -46.26 90.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.436 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . 0.512 ' N ' ' O ' ' B' ' 171' ' ' LEU . 22.9 mt -61.05 124.05 19.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.54 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . 0.561 ' H ' HE22 ' B' ' 140' ' ' GLN . 2.4 tmm_? -81.87 142.37 32.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.533 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 175' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' B' ' 176' ' ' GLY . . . -161.04 -123.92 0.7 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' B' ' 175' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.657 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 201' ' ' MET . . . . . 0.526 ' N ' ' O ' ' C' ' 217' ' ' VAL . 2.3 ptt? . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -82.55 119.88 24.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.65 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 19.4 pt -113.73 144.73 20.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.643 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -94.33 146.98 23.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.668 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 45.6 t -130.96 110.72 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.37 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -80.55 115.14 19.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.526 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 207' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' C' ' 211' ' ' LYS . 52.4 p -68.76 -163.38 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.469 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 208' ' ' LEU . . . . . 0.605 ' CD2' ' H ' ' C' ' 208' ' ' LEU . 0.7 OUTLIER -81.34 -53.75 6.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.562 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 14.1 p -63.58 -44.22 94.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.577 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 154.82 -32.15 0.67 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 211' ' ' LYS . . . . . 0.432 ' O ' ' OG1' ' C' ' 207' ' ' THR . 43.3 tttp -44.68 128.62 6.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.76 0.314 . . . . 0.0 110.708 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 31.4 m -99.32 158.69 15.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.644 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -136.14 130.16 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.402 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 26.2 m -99.94 96.95 7.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.393 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 10.5 mp -97.29 132.18 43.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.739 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 216' ' ' GLU . . . . . 0.471 ' N ' ' CD ' ' C' ' 216' ' ' GLU . 3.6 mp0 -83.8 126.4 32.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.984 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 217' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' C' ' 201' ' ' MET . 18.8 m -147.49 -161.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.066 0.46 . . . . 0.0 111.105 -179.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 218' ' ' GLU . . . . . 0.505 ' N ' ' OD2' ' C' ' 221' ' ' ASP . 2.1 mt-10 -142.67 170.66 8.38 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.668 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.28 -12.99 20.98 Favored 'Trans proline' 0 C--N 1.311 -1.395 0 C-N-CA 122.461 2.107 . . . . 0.0 112.432 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 220' ' ' SER . . . . . 0.44 ' H ' ' HG ' ' C' ' 220' ' ' SER . 2.7 p -101.73 -5.77 24.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.728 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 221' ' ' ASP . . . . . 0.505 ' OD2' ' N ' ' C' ' 218' ' ' GLU . 37.6 m-20 -66.77 140.69 57.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.428 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 10.3 p -85.8 141.76 29.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 22.2 mm -49.33 -39.6 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.248 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -58.39 -39.57 80.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.298 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 225' ' ' ASN . . . . . 0.518 ' OD1' ' NZ ' ' C' ' 229' ' ' LYS . 39.5 t-20 -65.06 -40.49 94.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.144 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 35.9 t -62.46 -47.52 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.188 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 227' ' ' LYS . . . . . 0.54 ' NZ ' ' O ' ' C' ' 241' ' ' GLN . 28.7 mttm -55.44 -40.13 71.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.242 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -61.77 -44.36 97.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.209 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 229' ' ' LYS . . . . . 0.518 ' NZ ' ' OD1' ' C' ' 225' ' ' ASN . 60.1 mttp -58.35 -45.37 88.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.288 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 59.7 mt -61.05 -37.76 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.29 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -61.24 -36.03 78.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.252 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -72.55 -24.05 61.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.621 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -82.95 -62.79 1.5 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.687 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -86.38 -107.91 0.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.649 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -171.31 13.15 0.05 OUTLIER Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 236' ' ' ILE . . . . . 0.524 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 27.7 mt -89.61 114.17 59.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -63.4 152.48 79.81 Favored 'Trans proline' 0 C--N 1.314 -1.273 0 C-N-CA 121.524 1.483 . . . . 0.0 111.745 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 238' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' C' ' 240' ' ' GLN . 2.7 Cg_endo -47.45 -62.75 0.4 Allowed 'Trans proline' 0 C--N 1.31 -1.492 0 C-N-CA 122.516 2.144 . . . . 0.0 111.88 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -45.45 -15.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.672 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 240' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' C' ' 238' ' ' PRO . 86.5 mt-30 -116.58 33.62 5.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.61 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 241' ' ' GLN . . . . . 0.54 ' O ' ' NZ ' ' C' ' 227' ' ' LYS . 49.0 mt-30 -134.51 166.92 21.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.67 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 242' ' ' ARG . . . . . 0.621 ' NH1' ' ND2' ' D' ' 328' ' ' ASN . 5.9 ttt180 -170.43 147.72 3.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.762 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 11.4 mt -125.09 136.2 53.43 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.093 0.473 . . . . 0.0 111.101 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 244' ' ' ILE . . . . . 0.458 ' O ' ' CG ' ' C' ' 268' ' ' HIS . 1.6 mt -129.13 116.26 39.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.057 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 245' ' ' PHE . . . . . 0.532 ' CZ ' ' OD2' ' A' ' 25' ' ' ASP . 61.9 t80 -100.7 74.54 1.67 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.947 0.404 . . . . 0.0 110.91 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 246' ' ' ALA . . . . . 0.4 ' CB ' ' OD1' ' A' ' 25' ' ' ASP . . . 56.34 88.17 0.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.973 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 247' ' ' GLY . . . . . . . . . . . . . . . 54.75 40.33 71.05 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -150.92 92.47 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.754 0.311 . . . . 0.0 110.901 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 249' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' D' ' 328' ' ' ASN . 10.9 tt0 -73.07 119.48 17.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.781 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 9.3 mt -80.83 141.44 34.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.931 0.395 . . . . 0.0 111.093 -179.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -86.14 161.09 19.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.364 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.16 0.1 54.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.891 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -123.14 34.25 3.76 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -135.81 178.44 7.04 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 255' ' ' THR . . . . . 0.463 ' C ' ' H ' ' C' ' 257' ' ' SER . 30.3 p -117.33 162.94 17.1 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.683 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 71.9 mt -66.83 2.77 1.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.6 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 257' ' ' SER . . . . . 0.463 ' H ' ' C ' ' C' ' 255' ' ' THR . 1.4 t -92.26 -43.77 9.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.726 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -51.0 -31.21 17.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.571 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -98.04 0.98 47.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.73 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 260' ' ' ASN . . . . . 0.406 ' O ' ' OD1' ' C' ' 260' ' ' ASN . 13.5 t-20 62.15 13.13 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.767 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 45.0 mt -51.77 96.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.865 0.364 . . . . 0.0 110.3 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -76.3 -157.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.661 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -84.19 159.0 21.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 58.29 33.96 23.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.776 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 26.7 m -89.95 134.88 33.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.56 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 7.0 m -86.68 113.65 22.72 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.477 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 11.8 mt -109.55 115.74 30.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.704 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 268' ' ' HIS . . . . . 0.645 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.1 OUTLIER -73.39 117.35 15.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.078 179.627 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 35.1 tp -88.8 128.38 35.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.38 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 4.6 t -131.08 168.49 23.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.638 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 271' ' ' LEU . . . . . . . . . . . . . 10.5 mt -99.53 119.84 38.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.532 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -79.92 91.63 5.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.557 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 273' ' ' LEU . . . . . 0.424 ' CD2' ' HE2' ' D' ' 344' ' ' HIS . 17.4 mt -72.99 100.44 2.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.548 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 274' ' ' ARG . . . . . 0.524 ' O ' ' NH2' ' D' ' 324' ' ' ARG . 61.2 ttt180 56.73 160.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.448 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . -149.48 73.44 0.28 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 88.9 m . . . . . 0 C--O 1.221 -0.404 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.609 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.698 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -157.05 85.06 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.774 0.321 . . . . 0.0 110.573 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 311' ' ' LYS . . . . . . . . . . . . . 59.3 tttt 45.38 52.05 9.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.54 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 312' ' ' LYS . . . . . 0.409 ' C ' ' CG ' ' D' ' 313' ' ' TYR . 16.9 mtmm -75.06 -157.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.58 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 313' ' ' TYR . . . . . 0.409 ' CG ' ' C ' ' D' ' 312' ' ' LYS . 11.8 m-85 -149.78 145.9 26.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.481 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -78.98 92.86 5.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.632 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 315' ' ' LEU . . . . . 0.52 ' C ' ' H ' ' D' ' 317' ' ' LYS . 19.6 mt -97.04 33.83 1.85 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.457 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 13.3 p -71.21 13.44 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.666 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 317' ' ' LYS . . . . . 0.52 ' H ' ' C ' ' D' ' 315' ' ' LEU . 27.5 pttt -157.7 80.91 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.64 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 8.0 m95 -138.88 164.09 30.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.157 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -108.16 161.4 15.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.603 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -63.68 -48.74 75.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.413 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -60.08 -36.03 76.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.613 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 322' ' ' GLU . . . . . 0.416 ' O ' ' OG1' ' D' ' 326' ' ' THR . 39.8 mm-40 -67.77 -55.41 13.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.633 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 13.3 mt -54.64 -56.77 15.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.448 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 324' ' ' ARG . . . . . 0.524 ' NH2' ' O ' ' C' ' 274' ' ' ARG . 4.0 tpt180 -53.09 -52.03 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.497 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 325' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' D' ' 329' ' ' THR . 69.8 m-20 -56.91 -49.45 75.55 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.439 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 326' ' ' THR . . . . . 0.423 ' O ' ' N ' ' D' ' 330' ' ' SER . 18.8 m -51.07 -43.26 60.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.56 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 327' ' ' ILE . . . . . 0.403 HD12 HG22 ' D' ' 327' ' ' ILE . 95.8 mt -77.89 -21.88 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.757 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 328' ' ' ASN . . . . . 0.663 ' N ' HD21 ' D' ' 328' ' ' ASN . 0.7 OUTLIER -102.33 3.83 38.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.985 -179.765 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.512 ' N ' ' O ' ' D' ' 325' ' ' ASP . 82.1 p -139.33 -40.57 0.47 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.683 0.277 . . . . 0.0 111.227 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 330' ' ' SER . . . . . 0.423 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.5 OUTLIER -82.13 162.34 22.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.035 0.445 . . . . 0.0 111.317 -179.335 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 331' ' ' CYS . . . . . 0.483 ' O ' ' SG ' ' D' ' 331' ' ' CYS . 26.5 p -138.35 88.28 2.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.305 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -157.1 95.4 1.49 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.328 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 4.6 mt -38.83 -34.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.798 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -64.07 -59.01 4.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.278 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 19.4 mt -60.96 -48.85 79.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.933 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 39.0 mt -50.58 -45.48 57.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.453 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -62.89 -49.07 76.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.43 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -63.38 -47.24 82.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.706 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 339' ' ' CYS . . . . . . . . . . . . . 75.4 m -55.29 -48.36 74.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.424 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 340' ' ' ARG . . . . . 0.438 HH22 ' HB3' ' C' ' 208' ' ' LEU . 6.8 mtp180 -62.8 -39.63 94.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.474 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -56.88 -57.32 12.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.653 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 342' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -62.85 -33.95 76.33 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.555 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -58.6 -44.87 90.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.288 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 344' ' ' HIS . . . . . 0.424 ' HE2' ' CD2' ' C' ' 273' ' ' LEU . 37.6 m170 -70.39 -51.69 27.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.437 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -47.09 -49.13 22.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.503 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 72.1 mtt-85 -50.38 -36.72 33.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.499 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 12.5 mt -80.71 -52.53 7.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.526 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -61.41 -17.24 53.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.597 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 349' ' ' VAL . . . . . . . . . . . . . 5.9 t -132.61 106.93 11.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.539 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 350' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -79.47 44.66 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 351' ' ' HIS . . . . . . . . . . . . . 8.1 t60 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.565 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.62 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 11' ' ' LYS . 25.7 m -138.6 72.03 1.4 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.867 0.365 . . . . 0.0 110.463 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 10' ' ' THR . 34.0 tttp 50.04 100.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.567 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -79.52 173.76 12.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.575 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -96.1 130.04 43.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.517 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.56 92.85 5.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.582 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.9 mt -92.83 43.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.2 p -95.47 -6.52 40.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.667 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -122.14 41.71 3.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.524 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -109.32 168.28 9.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.548 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -112.54 164.13 13.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.568 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 29.5 t80 -60.59 -49.61 76.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.6 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.45 -39.24 92.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.419 ' O ' ' OG1' ' A' ' 26' ' ' THR . 52.0 mm-40 -60.15 -58.06 10.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.632 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 mt -55.5 -58.01 9.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.542 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.516 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 0.9 OUTLIER -52.8 -45.56 67.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.156 179.846 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 29' ' ' THR . 8.3 t70 -60.33 -49.77 76.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.09 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.541 ' O ' ' N ' ' A' ' 30' ' ' SER . 4.4 m -49.07 -45.95 43.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.46 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.456 ' CD1' ' SG ' ' A' ' 39' ' ' CYS . 89.5 mt -73.55 -28.03 24.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.949 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.516 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 1.9 m-80 -93.28 0.29 56.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.196 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' ASP . 43.8 p -137.0 -44.73 0.57 Allowed 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.357 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.8 OUTLIER -70.75 173.79 6.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.013 0.435 . . . . 0.0 111.323 -179.268 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.425 ' SG ' ' CG2' ' B' ' 144' ' ' ILE . 66.1 m -151.68 86.91 1.34 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.438 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -163.14 102.45 0.98 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.926 0.394 . . . . 0.0 110.537 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.495 ' H ' ' CD1' ' A' ' 33' ' ' ILE . 0.8 OUTLIER -39.24 -44.52 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.77 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -55.16 -58.85 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.407 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.76 -52.49 65.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.102 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.9 mt -50.58 -46.16 57.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.578 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.85 -49.21 77.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.445 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.69 -42.78 99.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.229 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.456 ' SG ' ' CD1' ' A' ' 27' ' ' ILE . 30.9 t -60.75 -53.55 56.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.157 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.2 mtp-105 -55.04 -38.87 68.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.365 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -60.05 -59.67 5.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.664 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -63.24 -35.13 79.3 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.543 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -59.82 -40.55 88.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.304 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.41 ' HE2' ' CD2' ' B' ' 173' ' ' LEU . 19.0 m170 -71.97 -52.55 16.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.315 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.522 ' O ' ' N ' ' A' ' 49' ' ' VAL . 59.6 mtp180 -46.75 -47.7 20.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.451 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.7 mtp85 -52.12 -26.74 11.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.569 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.3 mt -95.84 -53.82 3.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.569 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -68.07 -48.02 66.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.638 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.522 ' N ' ' O ' ' A' ' 45' ' ' ARG . 3.0 t 56.59 -126.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.291 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.432 ' O ' ' O ' ' A' ' 49' ' ' VAL . 0.3 OUTLIER 45.52 98.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.56 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.528 179.94 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.526 ' N ' ' O ' ' B' ' 117' ' ' VAL . 29.4 ttp . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -92.31 125.37 36.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.669 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 17.4 pt -123.42 145.01 31.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.487 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . 0.497 ' CE2' ' OG1' ' B' ' 114' ' ' THR . 78.9 m-85 -98.96 135.67 40.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.669 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 38.5 t -113.89 107.05 21.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.253 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.44 155.12 27.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.63 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 17.1 p -121.61 -174.24 2.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.424 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.625 ' CD2' ' H ' ' B' ' 108' ' ' LEU . 0.7 OUTLIER -81.85 -26.98 33.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.406 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 44.5 p -84.85 3.1 39.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.47 -14.85 63.74 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -56.11 161.64 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 110.535 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 4.7 m -141.37 152.82 44.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.551 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -137.98 126.24 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.431 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' THR . . . . . 0.497 ' OG1' ' CE2' ' B' ' 104' ' ' PHE . 10.6 m -96.93 96.53 8.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.559 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.476 ' CD1' ' N ' ' B' ' 115' ' ' LEU . 8.8 mp -95.7 137.9 34.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.734 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -90.23 123.31 33.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.2 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' B' ' 101' ' ' MET . 16.8 m -147.76 -170.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.018 0.437 . . . . 0.0 110.818 -179.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.528 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 4.5 mt-10 -137.43 148.38 61.54 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.786 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.98 -25.04 2.53 Favored 'Trans proline' 0 C--N 1.31 -1.462 0 C-N-CA 122.385 2.056 . . . . 0.0 112.377 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.34 12.31 18.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.946 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . 0.528 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 1.1 m-20 -84.31 134.8 34.5 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 110.256 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 10.5 p -83.65 135.82 34.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.793 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . 0.433 HG21 HD12 ' B' ' 123' ' ' ILE . 26.2 mm -41.96 -48.65 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.317 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -51.0 -42.69 60.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.164 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.404 ' C ' HD21 ' B' ' 125' ' ' ASN . 0.2 OUTLIER -60.46 -46.89 88.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.022 179.478 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 45.7 t -54.79 -46.78 74.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.941 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . 0.445 ' O ' ' OE1' ' B' ' 141' ' ' GLN . 82.7 mttt -54.73 -36.59 64.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.948 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.4 -49.84 73.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.17 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -55.19 -47.61 74.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.359 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 71.7 mt -56.87 -46.79 83.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.366 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . 0.451 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 2.1 tp60 -54.77 -31.48 58.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.871 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -70.88 -40.33 72.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.627 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -70.59 -64.59 0.87 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.324 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -80.99 -115.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.618 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -168.77 13.04 0.06 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.525 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 45.7 mt -84.69 119.0 72.3 Favored Pre-proline 0 CA--C 1.533 0.289 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -59.94 153.15 59.36 Favored 'Trans proline' 0 C--N 1.314 -1.279 0 C-N-CA 121.476 1.451 . . . . 0.0 111.654 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.515 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -47.8 -65.44 0.18 Allowed 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.501 2.134 . . . . 0.0 111.882 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' B' ' 139' ' ' ASP . 50.1 t0 -42.31 -22.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' B' ' 138' ' ' PRO . 86.5 mt-30 -106.69 33.38 3.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.788 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 78.3 mt-30 -134.65 82.27 1.95 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.7 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . 0.673 HH12 HH21 ' B' ' 172' ' ' ARG . 40.6 ttt85 -90.04 112.22 23.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.994 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.6 mt -92.87 140.64 29.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.076 0.465 . . . . 0.0 111.24 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . 0.425 ' CG2' ' SG ' ' A' ' 31' ' ' CYS . 2.4 mt -133.57 138.03 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.205 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -166.29 144.25 5.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.591 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 71.85 17.9 5.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.8 21.9 70.51 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 37.9 mttm -146.36 149.93 34.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.716 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . 0.527 ' NE2' ' OE1' ' B' ' 151' ' ' GLU . 1.1 tm0? -80.65 131.58 35.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.187 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.444 ' O ' ' OE1' ' B' ' 149' ' ' GLN . 12.5 mt -80.26 113.56 18.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.029 -179.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . 0.527 ' OE1' ' NE2' ' B' ' 149' ' ' GLN . 0.3 OUTLIER -60.97 160.99 8.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.373 179.721 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.21 -24.48 32.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.812 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -97.75 41.33 2.31 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 32.8 mmt-85 -139.65 173.83 11.14 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 155' ' ' THR . . . . . 0.4 ' OG1' ' OD1' ' B' ' 158' ' ' ASP . 35.3 p -117.8 165.01 14.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.928 0.394 . . . . 0.0 110.654 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.94 -34.11 75.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.595 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 157' ' ' SER . . . . . 0.481 ' HG ' ' N ' ' B' ' 158' ' ' ASP . 83.3 p -65.86 -41.63 91.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.685 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . 0.481 ' N ' ' HG ' ' B' ' 157' ' ' SER . 2.7 m-20 -51.15 -39.7 56.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.692 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . 0.427 ' OH ' ' OE2' ' B' ' 151' ' ' GLU . 57.9 m-85 -88.04 8.53 26.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.704 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . 0.411 ' O ' ' OD1' ' B' ' 160' ' ' ASN . 13.8 t-20 61.21 21.17 11.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.75 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 85.9 mt -69.93 102.59 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.369 . . . . 0.0 110.345 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -83.85 -168.14 2.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.729 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -72.75 161.79 30.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.818 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 51.54 38.94 23.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.679 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 30.4 m -102.28 138.94 38.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.492 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 6.2 m -85.1 147.45 26.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.37 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.7 mt -134.31 111.6 10.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.238 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 168' ' ' HIS . . . . . 0.814 ' N ' ' HD1' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -68.77 106.6 2.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.162 -179.794 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 41.2 tp -87.57 130.34 34.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.622 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.0 t -129.24 154.95 40.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.359 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' B' ' 173' ' ' LEU . 7.4 mp -98.1 104.19 16.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.603 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . 0.673 HH21 HH12 ' B' ' 142' ' ' ARG . 60.1 ttt180 -56.09 82.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.393 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' B' ' 171' ' ' LEU . 34.2 mt -46.64 96.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.656 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . 0.531 ' CG ' ' H ' ' B' ' 175' ' ' GLY . 0.0 OUTLIER 42.33 -141.22 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.711 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 175' ' ' GLY . . . . . 0.531 ' H ' ' CG ' ' B' ' 174' ' ' ARG . . . 173.83 -93.5 0.1 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.599 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 201' ' ' MET . . . . . . . . . . . . . 1.4 ptt? . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -96.75 114.19 25.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.727 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 18.6 pt -102.28 149.44 6.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.598 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -102.99 139.98 37.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.705 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 41.0 t -127.7 109.71 20.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.281 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -93.74 132.13 38.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.814 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 70.1 p -84.63 -157.43 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.301 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 208' ' ' LEU . . . . . 0.56 ' N ' ' CD2' ' C' ' 208' ' ' LEU . 3.3 mm? -70.4 -61.41 1.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.55 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 5.7 p -56.27 -45.89 79.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.546 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 143.78 11.51 0.36 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -62.66 110.23 1.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.736 0.303 . . . . 0.0 110.632 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 8.7 m -90.88 134.87 34.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.426 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 2.8 mt -126.94 128.09 70.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.667 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 8.1 m -95.59 122.74 38.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.128 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 30.9 mt -130.41 128.92 42.34 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.877 0.37 . . . . 0.0 110.953 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -77.01 121.48 23.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.221 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 217' ' ' VAL . . . . . . . . . . . . . 15.4 m -147.56 174.03 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.385 . . . . 0.0 110.885 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 218' ' ' GLU . . . . . 0.532 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 76.1 mt-10 -128.39 151.24 76.23 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.0 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.81 -25.89 2.88 Favored 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 122.482 2.121 . . . . 0.0 112.352 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.6 p -80.59 -27.55 37.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.747 0.308 . . . . 0.0 110.944 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 221' ' ' ASP . . . . . 0.532 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 5.0 m-20 -45.71 135.57 6.69 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.964 0.411 . . . . 0.0 110.644 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 222' ' ' THR . . . . . 0.426 ' OG1' ' OD1' ' C' ' 225' ' ' ASN . 17.5 p -90.82 140.17 30.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.648 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 22.5 mm -45.51 -34.12 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.363 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -63.22 -41.58 99.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.264 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 225' ' ' ASN . . . . . 0.426 ' OD1' ' OG1' ' C' ' 222' ' ' THR . 2.8 m120 -63.64 -40.66 97.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.065 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 44.4 t -62.64 -50.76 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.961 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 227' ' ' LYS . . . . . 0.539 ' NZ ' ' O ' ' C' ' 241' ' ' GLN . 19.6 mttm -50.17 -42.35 50.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.177 179.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -61.55 -43.74 98.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.426 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 37.1 mttp -58.52 -38.88 78.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.445 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 8.0 mt -69.25 -33.1 56.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.314 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -66.21 -30.94 71.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.306 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -79.14 -31.17 43.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.631 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm -78.31 -62.44 1.68 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.705 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -86.05 -97.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.593 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 169.66 15.5 0.02 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 236' ' ' ILE . . . . . 0.523 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 53.7 mt -84.26 128.59 61.55 Favored Pre-proline 0 CA--C 1.532 0.283 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -55.58 147.99 56.16 Favored 'Trans proline' 0 C--N 1.313 -1.303 0 C-N-CA 121.645 1.564 . . . . 0.0 111.591 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -51.98 -37.21 67.1 Favored 'Trans proline' 0 C--N 1.309 -1.513 0 C-N-CA 122.246 1.964 . . . . 0.0 111.726 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -66.01 -40.8 91.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.493 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -84.43 36.57 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.536 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 241' ' ' GLN . . . . . 0.539 ' O ' ' NZ ' ' C' ' 227' ' ' LYS . 87.0 mt-30 -134.34 74.72 1.55 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.525 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 242' ' ' ARG . . . . . . . . . . . . . 32.5 ttt85 -89.71 109.44 20.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.215 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 15.3 mt -88.5 131.59 34.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.5 mt -127.18 123.61 62.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.362 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 245' ' ' PHE . . . . . 0.449 ' CZ ' ' OD2' ' A' ' 25' ' ' ASP . 59.6 t80 -112.8 85.51 2.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.737 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 246' ' ' ALA . . . . . 0.486 ' C ' ' H ' ' C' ' 248' ' ' LYS . . . 63.69 61.67 0.98 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.817 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 247' ' ' GLY . . . . . 0.441 ' H ' ' HB3' ' D' ' 331' ' ' CYS . . . 73.95 -18.68 1.86 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 248' ' ' LYS . . . . . 0.486 ' H ' ' C ' ' C' ' 246' ' ' ALA . 76.9 mttt -81.47 93.46 6.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.714 0.292 . . . . 0.0 110.64 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 249' ' ' GLN . . . . . 0.452 ' NE2' ' C ' ' C' ' 249' ' ' GLN . 0.7 OUTLIER -69.54 124.55 24.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.968 179.684 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 250' ' ' LEU . . . . . 0.423 ' O ' ' NE2' ' C' ' 249' ' ' GLN . 10.0 mt -85.08 137.74 32.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.929 0.395 . . . . 0.0 110.909 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.13 159.54 16.04 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.328 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -0.54 32.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.747 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -122.98 40.75 1.93 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -139.57 174.77 10.18 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 255' ' ' THR . . . . . 0.521 ' C ' ' H ' ' C' ' 257' ' ' SER . 19.1 p -118.47 159.63 23.16 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.688 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.34 2.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 257' ' ' SER . . . . . 0.521 ' H ' ' C ' ' C' ' 255' ' ' THR . 25.5 t -96.47 -32.88 12.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.549 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -74.43 15.98 0.3 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.567 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 259' ' ' TYR . . . . . 0.52 ' C ' HD21 ' C' ' 260' ' ' ASN . 69.7 m-85 -140.62 6.72 2.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.514 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 260' ' ' ASN . . . . . 0.604 ' N ' HD21 ' C' ' 260' ' ' ASN . 0.5 OUTLIER 57.68 28.17 15.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.719 179.851 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 91.9 mt -77.94 96.35 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.424 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -79.64 -157.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.754 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.62 161.77 21.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.718 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 52.43 24.37 2.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.593 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 24.2 m -85.48 134.68 34.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.571 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 6.7 m -82.25 151.42 26.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.425 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 8.7 mt -139.61 125.67 19.86 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.446 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 268' ' ' HIS . . . . . 0.754 ' HD1' ' H ' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -81.94 100.55 9.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.309 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 50.4 tp -82.6 133.81 35.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.806 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 2.1 t -132.08 163.71 36.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.249 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 271' ' ' LEU . . . . . . . . . . . . . 7.3 mp -101.39 98.25 8.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.357 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 -46.41 118.36 1.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.531 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 273' ' ' LEU . . . . . 0.528 ' CD2' ' HE2' ' D' ' 344' ' ' HIS . 34.6 mt -97.43 78.26 2.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.526 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -81.18 146.65 30.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.556 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 275' ' ' GLY . . . . . 0.489 ' O ' ' SG ' ' C' ' 276' ' ' CYS . . . -72.35 93.62 0.61 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 276' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' C' ' 275' ' ' GLY . 64.2 m . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.604 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.682 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 310' ' ' THR . . . . . 0.522 ' O ' ' N ' ' D' ' 312' ' ' LYS . 18.3 p -84.78 99.35 10.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.021 0.439 . . . . 0.0 110.56 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 311' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' D' ' 312' ' ' LYS . 29.9 pttt -42.23 90.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.778 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 312' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' D' ' 310' ' ' THR . 18.1 mmtp 44.11 -170.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.567 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -125.14 133.24 52.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.487 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -79.28 92.87 5.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.498 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 16.6 mt -94.34 32.5 1.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.493 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 43.9 p -74.84 6.79 3.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.612 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -147.47 73.59 1.29 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.664 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -133.82 158.53 43.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.387 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.41 ' N ' ' CD ' ' D' ' 319' ' ' LYS . 3.5 mptp? -99.62 165.02 11.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.55 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 320' ' ' TYR . . . . . 0.476 ' C ' ' CD1' ' D' ' 320' ' ' TYR . 16.0 t80 -65.42 -47.37 76.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.509 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.22 89.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.642 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -64.77 -50.65 65.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.731 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.75 -56.0 24.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.597 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 324' ' ' ARG . . . . . 0.665 ' NH1' HD22 ' D' ' 328' ' ' ASN . 15.6 tpt85 -56.35 -43.18 78.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.546 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 325' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' D' ' 329' ' ' THR . 14.4 t70 -67.57 -46.09 73.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.505 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 326' ' ' THR . . . . . 0.49 ' O ' ' N ' ' D' ' 330' ' ' SER . 96.7 m -55.05 -41.02 70.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.49 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 96.5 mt -73.51 -38.01 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.621 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 328' ' ' ASN . . . . . 0.665 HD22 ' NH1' ' D' ' 324' ' ' ARG . 0.8 OUTLIER -79.17 -21.9 45.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.6 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.476 ' N ' ' O ' ' D' ' 325' ' ' ASP . 68.2 p -103.5 -49.24 3.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.775 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 330' ' ' SER . . . . . 0.49 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.5 OUTLIER -79.07 178.33 8.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.924 -179.696 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 331' ' ' CYS . . . . . 0.441 ' HB3' ' H ' ' C' ' 247' ' ' GLY . 2.4 p -147.84 10.6 0.93 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.149 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -67.36 93.94 0.36 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.361 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 2.1 mt -38.61 -41.2 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.891 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -57.83 -58.76 6.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.278 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 335' ' ' LEU . . . . . 0.501 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 11.1 mt -57.43 -39.21 75.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.057 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 95.7 mt -56.91 -42.47 79.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.135 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -66.15 -47.17 74.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.244 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -70.72 -32.81 70.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.371 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 339' ' ' CYS . . . . . 0.501 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 99.6 m -69.12 -45.21 70.74 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -65.79 -42.82 90.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.913 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 341' ' ' GLU . . . . . 0.462 ' CG ' ' N ' ' D' ' 342' ' ' GLU . 4.7 pt-20 -63.4 -45.19 92.15 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.636 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 342' ' ' GLU . . . . . 0.462 ' N ' ' CG ' ' D' ' 341' ' ' GLU . 3.3 pt-20 -73.27 -36.59 66.37 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.444 -0.503 . . . . 0.0 110.182 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 343' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' D' ' 343' ' ' PHE . 20.4 t80 -59.04 -40.01 83.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.185 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 344' ' ' HIS . . . . . 0.528 ' HE2' ' CD2' ' C' ' 273' ' ' LEU . 10.8 m-70 -75.71 -52.59 10.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.363 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 345' ' ' ARG . . . . . 0.447 HH21 ' CB ' ' D' ' 342' ' ' GLU . 0.5 OUTLIER -46.09 -43.16 14.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.191 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 9.0 mtp85 -59.73 -38.92 83.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.559 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . 0.415 ' CD1' ' CE1' ' D' ' 343' ' ' PHE . 12.5 mt -83.28 -25.09 31.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.466 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.41 -49.33 19.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.555 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 349' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' D' ' 351' ' ' HIS . 83.7 t -80.0 126.67 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.506 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 350' ' ' TYR . . . . . 0.497 ' N ' ' CD1' ' D' ' 350' ' ' TYR . 0.5 OUTLIER -46.32 89.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.499 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 351' ' ' HIS . . . . . 0.524 ' N ' ' O ' ' D' ' 349' ' ' VAL . 8.0 p80 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.549 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.684 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.2 t -170.45 141.64 1.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 110.514 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -150.06 100.1 2.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.464 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.1 mmtt -79.85 171.66 14.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.549 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -95.07 123.83 38.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.521 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.69 92.88 4.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.56 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.7 mt -93.96 44.64 1.13 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.408 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.8 p -64.74 -25.94 68.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.801 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -155.05 112.83 3.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.711 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -135.61 179.47 6.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.15 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -116.58 158.53 23.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.424 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -59.49 -51.24 70.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.687 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.03 -44.35 92.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.77 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.424 ' O ' ' OG1' ' A' ' 26' ' ' THR . 36.0 mm-40 -55.04 -48.82 72.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.6 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.9 mt -62.28 -58.4 7.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.439 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.637 HH12 HH12 ' B' ' 142' ' ' ARG . 1.5 ttt85 -52.95 -49.36 66.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.338 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.527 ' OD2' ' CZ ' ' C' ' 245' ' ' PHE . 4.3 t70 -55.96 -50.59 70.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.214 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.548 ' O ' ' N ' ' A' ' 30' ' ' SER . 33.2 m -50.5 -44.74 56.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.363 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.462 ' CD1' ' SG ' ' A' ' 39' ' ' CYS . 86.4 mt -73.11 -39.31 56.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.635 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.653 HD21 ' N ' ' A' ' 28' ' ' ASN . 0.7 OUTLIER -77.76 -5.53 50.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.113 -179.427 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 68.8 p -125.71 -53.94 1.55 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.031 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.4 t -65.3 170.45 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.056 0.455 . . . . 0.0 111.048 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.8 p -142.69 22.93 1.96 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.326 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.32 97.11 10.61 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.716 -179.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.409 HD12 HG21 ' A' ' 33' ' ' ILE . 5.2 mm -39.34 -38.89 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.568 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.562 ' H ' ' CD ' ' A' ' 34' ' ' GLU . 6.5 mp0 -59.54 -59.02 6.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.387 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.7 mt -59.4 -39.71 84.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.265 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.4 mt -58.18 -43.92 87.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.41 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.3 -49.3 61.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.422 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.4 97.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.267 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.462 ' SG ' ' CD1' ' A' ' 27' ' ' ILE . 51.5 t -59.82 -53.48 57.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.047 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.623 ' HE ' ' CD1' ' B' ' 171' ' ' LEU . 16.6 mtp-105 -54.26 -42.68 70.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.183 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -56.32 -58.9 6.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.816 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -65.14 -37.52 87.68 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.756 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -58.75 -43.68 90.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.799 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -72.12 -55.6 7.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.434 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -45.86 -45.28 14.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.584 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 67.7 mtt-85 -54.3 -28.02 39.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.54 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.3 mt -92.85 -49.04 6.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.567 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -56.3 -45.7 80.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.645 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' TYR . 7.4 p -45.17 119.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.614 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' VAL . 61.1 m-85 35.43 80.15 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.051 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.3 t60 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.565 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -94.13 117.93 30.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.61 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 21.8 pt -104.39 148.47 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.605 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -99.61 147.32 25.49 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.774 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 92.3 t -131.8 106.04 10.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.167 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -94.28 130.29 40.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.76 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' THR . . . . . 0.457 ' HG1' ' H ' ' B' ' 111' ' ' LYS . 71.4 p -86.45 -156.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.504 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.616 ' CD2' ' H ' ' B' ' 108' ' ' LEU . 0.5 OUTLIER -83.32 -37.08 23.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.408 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 6.3 p -77.54 -7.32 56.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.521 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 96.34 19.29 28.38 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.457 ' H ' ' HG1' ' B' ' 107' ' ' THR . 83.3 tttt -79.33 112.73 16.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.726 0.298 . . . . 0.0 110.511 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.6 m -92.02 139.76 30.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.697 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 1.4 mt -133.33 124.48 49.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.42 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 9.1 m -91.51 126.19 36.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.387 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 29.6 mt -131.49 131.74 43.69 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.925 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -78.93 124.19 28.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.191 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 16.5 m -147.44 177.73 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.908 0.385 . . . . 0.0 110.895 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.536 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 81.1 mt-10 -132.61 150.64 76.36 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.971 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.83 -23.12 2.27 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.511 2.141 . . . . 0.0 112.322 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.4 p -92.4 11.24 26.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.009 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . 0.536 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 6.6 m-20 -83.75 131.33 34.92 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.199 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' THR . . . . . 0.535 ' OG1' ' ND2' ' B' ' 125' ' ' ASN . 4.6 p -84.33 134.63 34.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.849 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . 0.42 HD13 HG22 ' B' ' 123' ' ' ILE . 29.1 mm -42.4 -33.33 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.144 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -64.85 -39.71 93.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.186 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.535 ' ND2' ' OG1' ' B' ' 122' ' ' THR . 56.8 m-80 -65.09 -39.59 93.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.936 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 21.2 t -64.05 -44.32 97.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.051 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -57.31 -38.03 73.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.096 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.68 -43.5 93.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.194 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -58.45 -49.52 77.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.316 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 30.3 mt -57.79 -49.93 79.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.269 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . 0.427 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.9 OUTLIER -50.34 -36.01 30.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.372 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -69.85 -30.65 68.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.434 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -77.5 -63.55 1.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.446 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -79.65 -83.33 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.513 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 156.66 13.11 0.05 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.512 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 52.3 mt -85.2 127.62 63.27 Favored Pre-proline 0 CA--C 1.533 0.294 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -56.23 149.68 53.4 Favored 'Trans proline' 0 C--N 1.314 -1.26 0 C-N-CA 121.673 1.582 . . . . 0.0 111.651 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -50.78 -36.28 51.26 Favored 'Trans proline' 0 C--N 1.31 -1.457 0 C-N-CA 122.318 2.012 . . . . 0.0 111.885 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . 0.507 ' C ' ' H ' ' B' ' 141' ' ' GLN . 52.6 t0 -69.26 -48.55 61.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.83 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -72.7 37.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.794 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.512 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 79.4 mt-30 -134.39 156.33 48.71 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.626 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . 0.671 HH21 ' NE2' ' B' ' 149' ' ' GLN . 12.2 ttt85 -159.35 138.28 11.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.013 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.4 mt -121.16 136.83 54.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.078 0.466 . . . . 0.0 111.057 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.8 mt -126.86 140.74 48.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.148 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' B' ' 148' ' ' LYS . 50.6 t80 -148.01 153.14 38.58 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.663 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 41.64 26.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.688 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' B' ' 145' ' ' PHE . . . 72.66 43.46 43.38 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' B' ' 145' ' ' PHE . 34.8 mtmm -150.03 135.47 18.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.785 0.326 . . . . 0.0 110.594 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . 0.671 ' NE2' HH21 ' B' ' 142' ' ' ARG . 16.8 tt0 -75.41 125.69 29.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.362 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 15.1 mt -82.64 137.43 34.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.751 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . 0.461 ' OE1' ' NH2' ' B' ' 154' ' ' ARG . 33.8 mt-10 -81.23 160.54 24.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.487 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' B' ' 152' ' ' ASP . 0.0 OUTLIER -82.72 -17.48 44.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.66 -179.823 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -105.27 40.87 2.32 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.254 -0.739 . . . . 0.0 111.254 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . 0.461 ' NH2' ' OE1' ' B' ' 151' ' ' GLU . 30.4 mmt-85 -139.57 167.77 21.35 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 17.7 p -113.04 158.14 20.68 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.961 0.41 . . . . 0.0 110.822 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 91.9 mt -55.99 -26.83 50.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.634 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 9.7 t -69.66 -43.32 72.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.713 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -50.32 -42.11 52.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.708 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -86.42 5.23 36.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.578 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . 0.52 ' O ' ' NE2' ' B' ' 162' ' ' GLN . 7.1 m-80 62.94 15.15 8.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.801 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 69.8 mt -59.51 109.41 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.398 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' B' ' 160' ' ' ASN . 51.0 mm-40 -83.9 -156.98 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.766 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -85.76 157.25 20.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.77 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 56.58 31.48 19.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.809 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 36.4 m -82.35 136.7 34.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.561 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 4.0 m -88.47 108.77 19.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.615 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 12.1 mt -101.93 127.94 48.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.549 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 168' ' ' HIS . . . . . 0.648 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -83.55 115.95 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.25 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 33.0 tp -92.1 125.17 36.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.438 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.2 t -132.11 157.06 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.3 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . 0.623 ' CD1' ' HE ' ' A' ' 40' ' ' ARG . 13.4 mt -83.0 121.15 26.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.641 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -75.79 61.55 1.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.522 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' B' ' 174' ' ' ARG . 18.2 mt -43.85 104.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.595 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' B' ' 173' ' ' LEU . 20.5 mmm180 47.19 -175.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.537 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 173.04 -56.56 0.15 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 201' ' ' MET . . . . . 0.481 ' N ' ' O ' ' C' ' 217' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -87.35 122.23 30.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.422 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 21.1 pt -111.5 148.74 14.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.762 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -98.35 139.34 34.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.543 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 62.9 t -125.63 112.87 32.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.437 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -80.29 118.7 22.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.506 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 207' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' C' ' 211' ' ' LYS . 29.9 p -72.2 -165.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.417 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 208' ' ' LEU . . . . . 0.618 ' CD2' ' H ' ' C' ' 208' ' ' LEU . 0.5 OUTLIER -81.09 -54.77 5.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.464 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 82.8 p -57.54 -47.28 82.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.463 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 145.75 8.4 0.32 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 211' ' ' LYS . . . . . 0.429 ' O ' ' OG1' ' C' ' 207' ' ' THR . 81.0 tttt -83.95 120.85 26.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.799 0.333 . . . . 0.0 110.627 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 22.6 m -85.61 156.1 20.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.461 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 2.4 mt -138.67 127.27 29.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.655 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 32.4 m -96.47 111.44 23.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.195 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 21.0 mt -116.05 135.13 54.23 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.998 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 216' ' ' GLU . . . . . 0.501 ' O ' ' NZ ' ' C' ' 229' ' ' LYS . 57.7 mt-10 -79.95 122.38 26.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.092 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 217' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' C' ' 201' ' ' MET . 9.4 m -146.8 169.41 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.951 0.405 . . . . 0.0 111.039 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 218' ' ' GLU . . . . . 0.57 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 71.4 mt-10 -123.19 150.37 59.75 Favored Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.939 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.14 -24.42 2.38 Favored 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.577 2.184 . . . . 0.0 112.457 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 220' ' ' SER . . . . . 0.423 ' H ' ' HG ' ' C' ' 220' ' ' SER . 3.4 p -84.77 -25.42 28.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.049 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 221' ' ' ASP . . . . . 0.57 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 9.6 m-20 -44.33 135.44 4.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.953 0.406 . . . . 0.0 110.658 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 222' ' ' THR . . . . . 0.475 ' O ' ' N ' ' C' ' 225' ' ' ASN . 18.2 p -89.76 137.15 32.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.574 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 21.1 mm -40.74 -53.02 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.557 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -50.41 -35.91 30.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.257 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 225' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' C' ' 222' ' ' THR . 0.9 OUTLIER -65.46 -39.71 92.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.029 179.43 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.34 -44.42 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.855 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -57.17 -38.97 74.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.021 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.33 -41.22 98.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.12 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 229' ' ' LYS . . . . . 0.501 ' NZ ' ' O ' ' C' ' 216' ' ' GLU . 54.0 mttt -60.48 -43.8 96.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.094 179.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 59.5 mt -67.35 -21.86 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.452 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -76.37 -32.07 58.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.138 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -77.39 -30.89 53.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.423 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -82.58 -55.51 4.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -83.96 -101.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.514 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 172.01 8.21 0.02 OUTLIER Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 236' ' ' ILE . . . . . 0.535 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 55.8 mt -87.95 120.17 70.69 Favored Pre-proline 0 C--N 1.328 -0.338 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.11 149.37 85.17 Favored 'Trans proline' 0 C--N 1.315 -1.21 0 C-N-CA 121.46 1.44 . . . . 0.0 111.576 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 238' ' ' PRO . . . . . 0.511 ' C ' ' H ' ' C' ' 240' ' ' GLN . 2.7 Cg_endo -49.94 -55.55 4.0 Favored 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.296 1.997 . . . . 0.0 111.822 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -50.78 -9.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.699 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 240' ' ' GLN . . . . . 0.511 ' H ' ' C ' ' C' ' 238' ' ' PRO . 25.8 mt-30 -119.56 31.15 6.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.503 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 241' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 72.2 mt-30 -134.41 169.72 16.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.622 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 242' ' ' ARG . . . . . 0.624 HH12 ' ND2' ' D' ' 328' ' ' ASN . 4.0 ttt180 -170.4 150.37 3.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.906 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 15.2 mt -128.12 132.33 48.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.112 0.482 . . . . 0.0 110.909 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.7 mt -128.54 120.35 52.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.276 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 245' ' ' PHE . . . . . 0.527 ' CZ ' ' OD2' ' A' ' 25' ' ' ASP . 34.1 t80 -107.83 78.09 1.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.708 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 246' ' ' ALA . . . . . 0.524 ' C ' ' H ' ' C' ' 248' ' ' LYS . . . 68.7 67.29 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 247' ' ' GLY . . . . . 0.409 ' H ' ' HB3' ' D' ' 331' ' ' CYS . . . 70.13 -15.52 1.02 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 248' ' ' LYS . . . . . 0.524 ' H ' ' C ' ' C' ' 246' ' ' ALA . 46.1 mtmt -86.63 93.11 9.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.738 0.304 . . . . 0.0 110.75 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -70.98 127.01 31.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.173 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 9.5 mt -86.44 138.4 31.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.879 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -85.02 159.16 20.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.548 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 252' ' ' ASP . . . . . 0.437 ' OD2' ' NH2' ' C' ' 272' ' ' ARG . 0.4 OUTLIER -80.72 -1.32 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.853 -179.776 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -122.91 38.42 2.52 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.03 176.05 9.04 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 255' ' ' THR . . . . . 0.594 ' HG1' ' H ' ' C' ' 257' ' ' SER . 20.6 p -119.23 158.4 26.08 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.601 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 93.6 mt -60.26 -0.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.581 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 257' ' ' SER . . . . . 0.594 ' H ' ' HG1' ' C' ' 255' ' ' THR . 44.7 t -96.23 -22.4 17.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.618 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -79.78 12.81 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.641 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -140.62 7.66 2.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.598 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 4.0 m120 59.63 23.64 12.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.729 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 79.6 mt -71.14 103.02 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.446 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -81.57 -157.75 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.729 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -84.22 157.04 21.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.668 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 57.31 34.27 24.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.811 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 35.5 m -88.77 135.53 33.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.637 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 19.2 m -89.49 118.05 28.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.445 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 10.9 mt -110.29 124.77 52.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.79 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 268' ' ' HIS . . . . . 0.642 ' HD1' ' H ' ' C' ' 268' ' ' HIS . 0.7 OUTLIER -77.69 109.85 12.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.267 179.722 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 13.0 tp -78.81 142.86 36.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.756 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 270' ' ' VAL . . . . . 0.426 ' CG1' ' H ' ' C' ' 271' ' ' LEU . 6.4 t -145.95 173.36 3.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.384 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 271' ' ' LEU . . . . . 0.426 ' H ' ' CG1' ' C' ' 270' ' ' VAL . 50.8 mt -110.82 122.88 48.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.513 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 272' ' ' ARG . . . . . 0.437 ' NH2' ' OD2' ' C' ' 252' ' ' ASP . 17.9 ttm180 -84.6 110.62 18.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.615 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 273' ' ' LEU . . . . . 0.521 ' CD2' ' HE2' ' D' ' 344' ' ' HIS . 9.0 mt -82.1 143.86 31.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.64 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -78.68 -172.25 2.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.59 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . 167.01 -38.44 0.24 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 276' ' ' CYS . . . . . 0.457 ' SG ' ' O ' ' C' ' 276' ' ' CYS . 21.1 p . . . . . 0 C--O 1.221 -0.413 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.578 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.656 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 310' ' ' THR . . . . . 0.525 ' O ' ' N ' ' D' ' 312' ' ' LYS . 18.1 p -81.89 98.29 8.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.523 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 311' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -62.26 69.81 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.804 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 312' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' D' ' 310' ' ' THR . 13.1 mmmt -134.97 170.8 15.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.508 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 313' ' ' TYR . . . . . 0.475 ' CD1' ' N ' ' D' ' 313' ' ' TYR . 8.3 m-85 -93.43 135.49 34.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.567 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -80.1 92.78 5.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.465 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 12.2 mt -101.62 45.29 0.97 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.505 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 15.0 m -82.98 -8.32 59.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.785 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -136.05 74.99 1.53 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.738 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -129.96 165.86 21.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.354 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -110.28 164.2 12.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.629 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -61.85 -49.59 75.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.448 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -61.44 -42.57 98.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.71 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -57.99 -54.81 42.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.693 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.3 -60.34 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.561 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 324' ' ' ARG . . . . . 0.516 ' O ' ' ND2' ' D' ' 328' ' ' ASN . 8.3 tpt180 -53.0 -41.7 64.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.473 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 325' ' ' ASP . . . . . 0.451 ' O ' ' OG1' ' D' ' 329' ' ' THR . 5.1 t70 -65.5 -47.62 75.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.561 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 326' ' ' THR . . . . . 0.56 ' O ' ' N ' ' D' ' 330' ' ' SER . 57.2 m -53.37 -47.82 69.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.697 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 88.4 mt -70.93 -31.44 45.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.561 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 328' ' ' ASN . . . . . 0.624 ' ND2' HH12 ' C' ' 242' ' ' ARG . 0.8 OUTLIER -87.7 -4.62 58.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.572 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' D' ' 325' ' ' ASP . 71.4 p -127.41 -15.88 5.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.947 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 330' ' ' SER . . . . . 0.56 ' N ' ' O ' ' D' ' 326' ' ' THR . 1.9 t -114.36 165.48 12.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.062 0.458 . . . . 0.0 110.815 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 331' ' ' CYS . . . . . 0.409 ' HB3' ' H ' ' C' ' 247' ' ' GLY . 8.9 p -134.61 11.82 3.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.986 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.44 90.89 0.54 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.446 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 2.7 mt -38.0 -38.51 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.856 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -59.05 -58.34 9.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.214 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.26 -44.2 95.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.163 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 71.0 mt -50.54 -45.04 56.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.335 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -67.96 -45.89 72.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.483 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -61.43 -46.57 89.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.625 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 339' ' ' CYS . . . . . . . . . . . . . 84.0 m -61.43 -53.28 58.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.364 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 340' ' ' ARG . . . . . 0.418 HH22 ' HB3' ' C' ' 208' ' ' LEU . 7.2 mtp180 -55.86 -35.32 66.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.266 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -64.35 -53.4 49.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.607 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 342' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -67.42 -35.9 80.17 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.55 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 343' ' ' PHE . . . . . 0.415 ' CG ' ' CD1' ' C' ' 273' ' ' LEU . 1.7 t80 -60.64 -45.06 95.5 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.295 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 344' ' ' HIS . . . . . 0.521 ' HE2' ' CD2' ' C' ' 273' ' ' LEU . 42.2 m170 -67.5 -53.39 29.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.392 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -45.89 -55.47 6.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.407 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 74.5 mtt-85 -46.47 -42.86 16.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.448 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 40.4 mt -73.5 -28.64 62.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.538 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -70.24 -66.99 0.53 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.432 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 349' ' ' VAL . . . . . 0.514 ' O ' ' CD2' ' D' ' 350' ' ' TYR . 2.1 t -78.71 -136.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.411 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 350' ' ' TYR . . . . . 0.514 ' CD2' ' O ' ' D' ' 349' ' ' VAL . 66.1 m-85 -160.08 41.17 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.525 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 351' ' ' HIS . . . . . 0.418 ' OXT' ' O ' ' D' ' 350' ' ' TYR . 96.6 m-70 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.597 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.67 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.6 m -154.9 90.13 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.359 . . . . 0.0 110.474 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' CB ' ' NZ ' ' A' ' 11' ' ' LYS . 2.6 ttmp? -83.02 110.92 18.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.524 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -64.62 -172.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.485 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -123.08 148.87 45.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.514 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 22.6 p30 -78.97 92.84 4.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.492 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.426 ' O ' ' OE2' ' A' ' 42' ' ' GLU . 20.7 mt -100.1 44.98 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.67 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.9 m -90.1 -26.41 20.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.698 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -97.87 40.55 1.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.775 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -110.28 165.36 11.83 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.559 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.518 ' N ' ' OE1' ' A' ' 22' ' ' GLU . 41.0 mttm -115.02 167.57 10.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.581 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.441 ' HH ' ' C ' ' B' ' 175' ' ' GLY . 8.9 t80 -62.18 -48.31 80.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.378 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.6 -38.7 91.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.741 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 19' ' ' LYS . 79.4 mt-10 -62.17 -56.71 16.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.757 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.6 mt -56.07 -56.21 23.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.699 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -53.03 -53.25 52.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.548 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 29' ' ' THR . 17.4 m-20 -52.81 -51.09 62.19 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.49 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.631 ' O ' ' N ' ' A' ' 30' ' ' SER . 38.6 m -51.32 -56.69 11.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.528 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.2 mt -59.61 -25.85 32.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.437 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -95.38 -5.64 42.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.283 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 25' ' ' ASP . 30.5 p -135.16 3.61 3.15 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.228 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.631 ' N ' ' O ' ' A' ' 26' ' ' THR . 7.0 t -115.16 167.28 10.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.97 0.414 . . . . 0.0 110.88 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.442 ' SG ' ' C ' ' B' ' 147' ' ' GLY . 75.3 m -144.22 36.38 1.23 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.363 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.45 107.23 16.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.572 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.403 HD11 HG23 ' A' ' 33' ' ' ILE . 3.4 mm -41.98 -42.39 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.5 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.63 -58.33 9.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.441 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.494 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 40.7 mt -58.69 -46.54 87.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.287 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.8 mt -58.05 -48.1 81.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.364 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.43 -49.15 64.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.685 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.33 -42.71 99.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.563 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 70.7 m -60.36 -49.46 77.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.562 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.504 ' NH2' ' CE1' ' A' ' 44' ' ' HIS . 16.9 mtp-105 -64.64 -32.18 73.73 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.458 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -62.64 -54.98 31.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.443 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.426 ' OE2' ' O ' ' A' ' 15' ' ' LEU . 4.0 pt-20 -64.39 -36.3 83.69 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.447 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.404 ' CG ' ' CD1' ' B' ' 173' ' ' LEU . 1.8 t80 -57.49 -51.48 69.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.119 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.504 ' CE1' ' NH2' ' A' ' 40' ' ' ARG . 16.6 m170 -62.57 -49.16 76.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.287 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.99 -39.85 42.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.236 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -63.87 -43.51 95.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.664 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.45 -21.21 61.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.418 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -76.04 -58.19 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.471 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.1 m -75.1 -156.39 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.542 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.438 ' CD2' ' O ' ' A' ' 50' ' ' TYR . 27.2 p90 -151.4 117.55 5.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.531 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 37.1 m80 . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.57 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.526 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -93.99 107.68 19.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.629 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 17.8 pt -99.1 148.09 6.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.533 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -103.29 146.06 29.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.573 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 46.2 t -126.95 104.16 12.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.181 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.26 158.82 27.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.649 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 39.9 p -126.94 -175.94 3.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.291 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.614 ' CD2' ' H ' ' B' ' 108' ' ' LEU . 1.2 mm? -76.66 -33.7 58.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.403 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 33.7 p -79.2 9.24 4.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.572 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 86.61 -28.85 5.15 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -45.83 160.66 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 110.522 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 16.7 m -142.35 159.0 43.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.47 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 2.6 mt -140.39 128.2 24.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.696 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 5.8 m -100.46 124.49 46.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.248 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 28.1 mt -130.2 136.11 48.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.885 0.374 . . . . 0.0 110.822 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -81.79 124.73 29.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.155 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' B' ' 101' ' ' MET . 9.2 m -147.05 -175.81 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.919 0.39 . . . . 0.0 110.868 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.55 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 14.6 mm-40 -132.23 147.4 65.59 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.918 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.77 -18.3 0.51 Allowed 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 122.419 2.079 . . . . 0.0 112.211 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' SER . . . . . 0.453 ' H ' ' HG ' ' B' ' 120' ' ' SER . 3.6 p -89.29 -24.33 22.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.852 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . 0.55 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 1.2 m-20 -45.18 139.07 3.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.99 0.424 . . . . 0.0 110.66 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' THR . . . . . 0.458 ' O ' ' N ' ' B' ' 125' ' ' ASN . 19.2 p -89.68 135.68 33.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.698 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . 0.414 HG22 HD13 ' B' ' 123' ' ' ILE . 20.8 mm -42.69 -47.69 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.316 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -53.67 -37.11 62.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.102 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.513 ' OD1' ' NZ ' ' B' ' 129' ' ' LYS . 38.2 t-20 -64.94 -40.59 95.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.191 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 85.5 t -63.11 -45.56 98.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.155 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -56.85 -39.11 73.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.113 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . 0.417 ' O ' ' OD1' ' B' ' 132' ' ' ASP . . . -63.22 -44.82 94.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.295 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.513 ' NZ ' ' OD1' ' B' ' 125' ' ' ASN . 49.2 mttp -57.83 -52.46 65.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.324 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 87.1 mt -55.0 -43.7 70.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.414 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . 0.435 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.8 OUTLIER -57.3 -29.56 64.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.226 179.694 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' B' ' 128' ' ' ALA . 3.8 m-20 -72.5 -40.38 66.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.471 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -70.69 -64.27 0.93 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.305 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -78.68 -83.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.605 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 158.5 -7.49 0.17 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 48.6 mt -56.45 114.55 7.97 Favored Pre-proline 0 C--N 1.328 -0.355 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -62.15 147.68 94.61 Favored 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 121.467 1.445 . . . . 0.0 111.479 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.515 ' C ' ' H ' ' B' ' 140' ' ' GLN . 2.8 Cg_endo -49.77 -41.21 47.01 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.262 1.974 . . . . 0.0 111.801 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.34 10.99 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.72 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.515 ' H ' ' C ' ' B' ' 138' ' ' PRO . 60.7 mt-30 -141.23 41.96 1.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.478 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -134.43 166.12 23.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.653 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . 0.526 ' NH2' ' OE1' ' B' ' 149' ' ' GLN . 34.9 ttt85 -170.04 108.05 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.32 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 16.3 mt -95.6 135.58 37.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.02 0.438 . . . . 0.0 111.074 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.7 mt -128.16 141.97 45.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.075 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . 0.529 ' C ' ' H ' ' B' ' 147' ' ' GLY . 39.5 t80 -158.01 147.21 19.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.922 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 66.88 -9.98 0.33 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.285 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . 0.529 ' H ' ' C ' ' B' ' 145' ' ' PHE . . . 110.08 24.02 5.89 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -146.04 157.07 43.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.905 0.384 . . . . 0.0 110.629 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . 0.526 ' OE1' ' NH2' ' B' ' 142' ' ' ARG . 34.8 tt0 -84.7 135.89 33.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.353 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 12.9 mt -86.27 130.82 34.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.637 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . 0.423 ' CD ' ' H ' ' B' ' 152' ' ' ASP . 1.3 tm-20 -73.61 159.57 32.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.424 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . 0.423 ' H ' ' CD ' ' B' ' 151' ' ' GLU . 1.7 m-20 -78.15 -40.36 38.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.719 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -85.48 45.66 3.53 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 22.7 mmt-85 -139.74 174.25 10.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.686 0.279 . . . . 0.0 110.412 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 31.0 p -119.92 166.91 12.7 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.902 0.382 . . . . 0.0 110.825 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.2 -0.84 3.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.695 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 157' ' ' SER . . . . . 0.457 ' C ' ' H ' ' B' ' 159' ' ' TYR . 46.0 t -93.4 -33.76 13.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.635 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.63 15.46 0.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.636 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . 0.457 ' H ' ' C ' ' B' ' 157' ' ' SER . 59.5 m-85 -140.74 8.67 2.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.507 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . 0.552 ' N ' HD21 ' B' ' 160' ' ' ASN . 1.7 m120 55.85 30.01 15.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.795 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 97.0 mt -81.17 99.99 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.453 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -82.65 -157.47 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.704 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -82.97 161.58 21.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.764 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 54.26 18.01 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.527 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 18.1 m -81.23 133.79 35.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.536 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 166' ' ' THR . . . . . 0.469 ' O ' ' CD1' ' B' ' 145' ' ' PHE . 5.9 m -81.86 154.76 25.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.604 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.2 mt -139.62 114.97 9.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.124 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 168' ' ' HIS . . . . . 0.635 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.1 OUTLIER -69.74 116.99 10.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.433 -179.801 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.87 127.48 41.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.553 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 1.4 t -136.35 140.29 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.276 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . 0.604 ' CD2' ' N ' ' B' ' 171' ' ' LEU . 0.3 OUTLIER -91.56 136.09 33.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.745 -179.476 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -89.78 97.85 11.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.394 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . 0.434 ' CD2' ' HE2' ' A' ' 44' ' ' HIS . 16.2 mt -61.11 128.95 38.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.532 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -75.28 141.64 43.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.564 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 175' ' ' GLY . . . . . 0.441 ' C ' ' HH ' ' A' ' 20' ' ' TYR . . . 173.47 152.93 9.2 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 201' ' ' MET . . . . . 0.515 ' N ' ' O ' ' C' ' 217' ' ' VAL . 1.9 ptt? . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -89.92 111.37 22.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.604 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 6.1 pt -103.74 150.16 7.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.65 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -94.56 149.93 20.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.336 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 71.5 t -136.85 106.54 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.352 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 206' ' ' LYS . . . . . 0.446 ' CB ' ' NZ ' ' C' ' 206' ' ' LYS . 7.2 mtpm? -91.89 140.61 29.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.643 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 58.3 p -89.24 -168.26 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.23 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 208' ' ' LEU . . . . . 0.61 ' CD2' ' H ' ' C' ' 208' ' ' LEU . 0.4 OUTLIER -86.56 23.12 1.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.467 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 17.7 p -136.51 -38.95 0.66 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.446 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 141.64 -0.73 1.71 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 211' ' ' LYS . . . . . 0.481 ' HZ3' ' CD ' ' C' ' 234' ' ' GLU . 78.8 tttt -69.52 111.56 5.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.645 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 22.6 m -97.32 141.71 30.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.516 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.86 127.06 55.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.633 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 23.0 m -91.78 112.39 24.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.185 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 17.8 mt -111.33 129.08 56.11 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.052 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -85.03 112.22 20.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.031 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 217' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' C' ' 201' ' ' MET . 23.6 m -137.5 -162.05 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.026 0.441 . . . . 0.0 111.001 -179.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 218' ' ' GLU . . . . . 0.524 ' N ' ' OD2' ' C' ' 221' ' ' ASP . 6.5 mt-10 -141.01 170.37 9.56 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.615 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -74.51 -14.64 22.34 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 C-N-CA 122.351 2.034 . . . . 0.0 112.499 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 8.3 t -100.09 -11.04 20.86 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.924 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 221' ' ' ASP . . . . . 0.524 ' OD2' ' N ' ' C' ' 218' ' ' GLU . 45.6 m-20 -59.88 142.55 53.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.935 0.397 . . . . 0.0 110.533 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 222' ' ' THR . . . . . 0.571 ' HG1' ' H ' ' C' ' 225' ' ' ASN . 23.4 p -84.61 135.81 34.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.852 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 223' ' ' ILE . . . . . 0.412 HD12 HG21 ' C' ' 223' ' ' ILE . 23.8 mm -45.96 -49.49 4.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.263 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -50.27 -40.99 49.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.294 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 225' ' ' ASN . . . . . 0.571 ' H ' ' HG1' ' C' ' 222' ' ' THR . 44.6 t-20 -62.63 -36.64 83.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.026 179.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 16.5 t -64.85 -51.75 63.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.023 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -51.65 -38.14 53.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.14 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.91 -43.91 94.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.196 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 229' ' ' LYS . . . . . 0.501 ' NZ ' ' OD1' ' C' ' 225' ' ' ASN . 38.6 mttp -57.68 -39.84 78.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.005 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 9.0 mt -67.17 -34.95 72.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.0 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.61 -29.2 70.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.143 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -79.78 -30.68 40.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.496 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 48.5 mmtt -77.55 -62.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.674 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 234' ' ' GLU . . . . . 0.481 ' CD ' ' HZ3' ' C' ' 211' ' ' LYS . 27.4 mm-40 -87.44 -107.32 0.07 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.706 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -171.96 17.17 0.05 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 236' ' ' ILE . . . . . 0.495 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 18.0 mt -91.65 112.92 56.88 Favored Pre-proline 0 CA--C 1.532 0.27 0 N-CA-C 110.472 -0.196 . . . . 0.0 110.472 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -63.4 152.72 78.67 Favored 'Trans proline' 0 C--N 1.314 -1.249 0 C-N-CA 121.611 1.541 . . . . 0.0 111.662 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 238' ' ' PRO . . . . . 0.525 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.7 Cg_endo -47.34 -66.18 0.15 Allowed 'Trans proline' 0 C--N 1.31 -1.499 0 C-N-CA 122.608 2.206 . . . . 0.0 111.923 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -42.38 -20.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.732 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 240' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' C' ' 238' ' ' PRO . 67.3 mt-30 -108.57 34.23 3.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.631 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 241' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' C' ' 238' ' ' PRO . 61.4 mt-30 -134.56 162.64 31.72 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.649 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 242' ' ' ARG . . . . . . . . . . . . . 43.7 ttt85 -170.2 109.02 0.37 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.98 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 22.0 mt -93.13 137.85 32.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.138 0.494 . . . . 0.0 111.255 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.7 mt -125.07 145.82 31.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.679 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 245' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -132.45 72.92 1.5 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.841 0.353 . . . . 0.0 111.222 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 60.11 87.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.073 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 247' ' ' GLY . . . . . . . . . . . . . . . 50.95 37.86 36.98 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -149.8 92.65 1.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.738 0.304 . . . . 0.0 110.645 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 249' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' C' ' 250' ' ' LEU . 20.3 tm0? -70.28 121.14 17.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.045 179.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 250' ' ' LEU . . . . . 0.522 ' O ' ' NE2' ' C' ' 249' ' ' GLN . 10.2 mt -76.75 123.19 25.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.337 . . . . 0.0 110.881 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -72.82 159.48 33.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.318 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 252' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' C' ' 252' ' ' ASP . 0.4 OUTLIER -79.69 -36.43 37.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.974 -179.751 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -90.07 38.9 3.15 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -139.68 -179.7 6.07 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 255' ' ' THR . . . . . 0.428 ' OG1' ' OG ' ' C' ' 257' ' ' SER . 82.7 p -118.4 175.45 5.71 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.826 0.346 . . . . 0.0 110.777 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 70.3 mt -76.43 1.51 16.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.777 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 257' ' ' SER . . . . . 0.543 ' C ' ' H ' ' C' ' 259' ' ' TYR . 2.9 p -93.86 -33.37 13.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.757 0.313 . . . . 0.0 110.637 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -70.15 14.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.638 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 259' ' ' TYR . . . . . 0.543 ' H ' ' C ' ' C' ' 257' ' ' SER . 76.3 m-85 -140.61 9.76 2.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.548 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 260' ' ' ASN . . . . . 0.46 ' O ' ' ND2' ' C' ' 260' ' ' ASN . 7.7 t30 51.23 38.05 20.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.745 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 80.9 mt -84.33 103.63 11.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.479 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -81.62 -158.83 0.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.637 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -85.2 157.66 20.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.633 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 58.42 26.52 14.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.8 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 30.6 m -82.14 137.16 35.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.541 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 3.6 m -83.26 120.06 25.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.644 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 3.3 mp -114.35 127.02 55.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.219 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 268' ' ' HIS . . . . . 0.683 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.0 OUTLIER -84.9 116.93 23.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.253 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 19.1 tp -93.0 116.92 29.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.386 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -122.77 134.41 66.03 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 271' ' ' LEU . . . . . 0.425 ' CD1' ' N ' ' C' ' 271' ' ' LEU . 8.1 mp -74.63 108.41 7.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.671 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 272' ' ' ARG . . . . . 0.613 ' NE ' HH22 ' D' ' 324' ' ' ARG . 39.5 ttt180 -67.64 100.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.532 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 273' ' ' LEU . . . . . . . . . . . . . 22.3 mt -79.63 91.79 5.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.613 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -78.12 102.74 7.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.622 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 275' ' ' GLY . . . . . 0.423 ' O ' ' OXT' ' C' ' 276' ' ' CYS . . . -77.64 138.53 21.75 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 276' ' ' CYS . . . . . 0.423 ' OXT' ' O ' ' C' ' 275' ' ' GLY . 52.4 t . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.578 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 309' ' ' GLY . . . . . 0.503 ' C ' ' H ' ' D' ' 311' ' ' LYS . . . . . . . . 0 CA--C 1.523 0.59 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 11.5 t -76.0 35.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.993 0.425 . . . . 0.0 110.46 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 311' ' ' LYS . . . . . 0.503 ' H ' ' C ' ' D' ' 309' ' ' GLY . 58.5 tttp -172.44 105.91 0.17 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.515 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 312' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -71.81 -171.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.61 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -91.33 144.72 25.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -79.53 92.96 5.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.578 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 14.6 mt -104.64 31.39 4.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.553 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 27.5 p -82.53 18.56 1.46 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.654 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -146.13 40.95 1.16 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.635 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -108.94 174.69 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.519 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -118.02 167.04 11.82 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.61 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -60.8 -48.28 82.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.529 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -66.41 -41.12 89.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -57.8 -49.36 76.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.74 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 14.5 mt -65.13 -56.77 11.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.704 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 324' ' ' ARG . . . . . 0.613 HH22 ' NE ' ' C' ' 272' ' ' ARG . 2.6 ttt85 -53.08 -44.76 67.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.66 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 325' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' D' ' 329' ' ' THR . 8.9 m-20 -58.96 -50.63 73.34 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.357 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 326' ' ' THR . . . . . 0.54 ' O ' ' N ' ' D' ' 330' ' ' SER . 19.1 m -53.33 -44.32 68.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.511 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 79.5 mt -74.82 -28.52 21.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.516 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 328' ' ' ASN . . . . . 0.508 ' N ' HD21 ' D' ' 328' ' ' ASN . 1.1 m-80 -92.06 -1.74 57.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.036 -179.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.467 ' N ' ' O ' ' D' ' 325' ' ' ASP . 80.7 p -132.85 -46.14 0.87 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.152 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 330' ' ' SER . . . . . 0.54 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.7 OUTLIER -71.66 170.59 13.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.114 0.483 . . . . 0.0 111.214 -179.39 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 331' ' ' CYS . . . . . . . . . . . . . 90.6 m -147.54 40.23 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.388 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.05 99.24 8.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.583 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . 0.411 HG21 HD12 ' D' ' 333' ' ' ILE . 6.1 mm -38.66 -37.98 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.635 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -61.19 -58.78 6.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.28 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 335' ' ' LEU . . . . . 0.486 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 12.0 mt -60.19 -49.18 78.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.259 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 73.2 mt -50.45 -45.37 55.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.486 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -64.65 -49.26 71.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.648 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -61.09 -43.98 98.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.39 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 339' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 67.4 m -57.03 -53.45 57.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.298 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 12.8 mtp85 -55.96 -43.44 77.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.456 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -54.95 -58.5 7.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 342' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -63.61 -34.34 77.6 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.854 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -63.71 -43.14 97.44 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.539 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -68.28 -47.97 66.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -52.05 -54.69 27.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.31 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -46.35 -36.63 6.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.57 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 76.0 mt -77.0 -53.78 7.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.499 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -46.28 -55.26 7.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.544 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 349' ' ' VAL . . . . . 0.446 ' O ' ' CD2' ' D' ' 350' ' ' TYR . 2.6 t -77.71 -130.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.393 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 350' ' ' TYR . . . . . 0.446 ' CD2' ' O ' ' D' ' 349' ' ' VAL . 76.6 m-85 -155.74 27.6 0.38 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.552 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 351' ' ' HIS . . . . . . . . . . . . . 49.2 m170 . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.543 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.6 m -154.03 90.66 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 110.478 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -153.09 157.49 40.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.446 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.541 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 10.6 mptt -70.21 -169.19 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.38 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -139.21 131.22 27.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.507 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -79.5 92.83 5.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.618 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.1 mt -97.41 45.14 1.04 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.464 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.3 m -82.76 15.59 2.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -171.24 82.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.929 0.395 . . . . 0.0 110.757 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -131.17 161.4 32.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.225 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.5 mttm -108.5 168.51 9.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.777 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.469 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 16.8 t80 -65.79 -47.16 76.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.52 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.81 -34.63 76.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.677 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.41 ' O ' ' OG1' ' A' ' 26' ' ' THR . 95.4 mt-10 -68.96 -55.01 12.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.652 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.8 mt -57.86 -55.7 31.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.585 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.656 ' NH2' HH21 ' B' ' 142' ' ' ARG . 7.0 tpt85 -54.76 -49.55 70.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.431 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.531 ' OD2' ' CE2' ' C' ' 245' ' ' PHE . 3.9 t70 -57.9 -49.65 76.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.423 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.471 ' O ' ' CB ' ' A' ' 30' ' ' SER . 19.0 m -52.77 -43.51 65.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.662 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.428 HD12 HG22 ' A' ' 27' ' ' ILE . 96.4 mt -76.23 -23.6 15.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.677 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 1.9 m-80 -99.32 0.83 43.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.022 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 25' ' ' ASP . 75.9 p -133.46 -24.12 1.82 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.005 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 26' ' ' THR . 0.9 OUTLIER -103.43 157.96 16.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.891 0.377 . . . . 0.0 110.925 -179.751 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.55 ' SG ' ' CG ' ' B' ' 168' ' ' HIS . 29.0 t -129.5 29.47 5.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.355 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.1 m-20 -90.76 93.46 9.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.45 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 32' ' ' ASP . 3.0 mt -38.73 -40.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.783 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -57.47 -58.91 6.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.308 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.3 mt -58.72 -43.34 90.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.041 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 81.5 mt -52.71 -43.7 65.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.17 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.1 -49.07 68.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.325 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.85 94.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.415 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 85.0 m -61.6 -53.54 54.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.282 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.404 ' HB2' HH11 ' A' ' 40' ' ' ARG . 17.4 mtp-105 -53.62 -39.13 64.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.307 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -61.2 -60.26 4.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.667 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -62.79 -36.23 82.43 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.485 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -59.5 -41.2 89.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.428 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -72.91 -55.04 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.535 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -45.86 -45.72 15.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.591 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -52.39 -33.2 42.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.42 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.4 mt -86.78 -33.82 19.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.482 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -80.36 -72.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.624 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 50' ' ' TYR . 6.3 m -90.91 177.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.574 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' VAL . 95.0 m-85 37.38 65.0 0.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 6.2 p-80 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.007 -0.996 . . . . 0.0 110.503 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.513 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -90.44 120.04 31.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.577 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 21.6 pt -106.91 148.87 10.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.626 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -102.09 146.06 28.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.546 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 31.6 t -129.98 106.71 13.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.185 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . 0.515 ' NZ ' ' OG1' ' B' ' 112' ' ' THR . 34.7 mttm -95.49 131.39 41.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.64 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 21.7 p -95.81 -150.07 0.32 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.42 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.608 ' CD2' ' H ' ' B' ' 108' ' ' LEU . 0.4 OUTLIER -85.6 -46.1 11.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.439 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 50.3 p -70.51 11.99 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.547 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . 0.511 ' H ' ' C ' ' B' ' 108' ' ' LEU . . . 73.97 12.74 81.21 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.516 ' NZ ' ' OE2' ' B' ' 134' ' ' GLU . 80.3 tttt -72.67 119.25 16.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.762 0.315 . . . . 0.0 110.551 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' THR . . . . . 0.515 ' OG1' ' NZ ' ' B' ' 106' ' ' LYS . 8.8 m -99.39 142.77 30.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.481 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 1.3 mt -133.09 124.69 50.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.541 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 6.4 m -94.15 125.13 38.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.254 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 27.3 mt -130.44 130.62 44.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.855 0.36 . . . . 0.0 110.861 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -77.31 121.4 23.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.119 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' B' ' 101' ' ' MET . 11.0 m -146.82 -175.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.916 -179.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.501 ' C ' ' H ' ' B' ' 120' ' ' SER . 23.9 mm-40 -142.83 150.48 53.55 Favored Pre-proline 0 CA--C 1.53 0.204 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.178 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -46.71 -9.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.73 2.287 . . . . 0.0 112.47 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' SER . . . . . 0.501 ' H ' ' C ' ' B' ' 118' ' ' GLU . 2.2 p -96.88 -30.83 12.91 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.972 -0.291 . . . . 0.0 110.929 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . 0.479 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 2.4 m-20 -43.85 139.45 2.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.995 0.426 . . . . 0.0 110.822 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 67.6 p -87.86 138.31 31.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.516 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . 0.421 HD13 HG21 ' B' ' 123' ' ' ILE . 22.3 mm -46.48 -44.78 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.378 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -56.42 -38.19 71.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.392 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.463 ' C ' HD21 ' B' ' 125' ' ' ASN . 0.2 OUTLIER -64.01 -41.35 97.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.05 179.554 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 46.2 t -62.23 -44.02 98.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.943 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . 0.528 ' NZ ' ' O ' ' B' ' 141' ' ' GLN . 55.4 mttm -56.77 -40.74 76.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.058 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.37 98.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.29 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -58.13 -50.39 73.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.377 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 67.0 mt -57.05 -49.01 80.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.391 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . 0.556 ' N ' HE22 ' B' ' 141' ' ' GLN . 1.0 OUTLIER -53.11 -30.72 38.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.343 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -71.05 -42.0 70.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.437 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -69.53 -64.08 0.95 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.24 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . 0.516 ' OE2' ' NZ ' ' B' ' 111' ' ' LYS . 57.9 mm-40 -77.11 -89.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.562 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 161.41 5.01 0.05 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.532 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 37.6 mt -74.87 128.09 85.84 Favored Pre-proline 0 C--N 1.33 -0.28 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -56.04 150.15 49.06 Favored 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 121.666 1.577 . . . . 0.0 111.67 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -50.11 -39.37 51.27 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.336 2.024 . . . . 0.0 111.966 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . 0.434 ' C ' ' H ' ' B' ' 141' ' ' GLN . 5.0 m-20 -66.88 -44.65 80.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -79.15 31.36 0.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.556 HE22 ' N ' ' B' ' 131' ' ' GLN . 66.7 mt-30 -129.78 82.98 2.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.499 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . 0.656 HH21 ' NH2' ' A' ' 24' ' ' ARG . 31.5 ttm-85 -90.05 113.86 25.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.588 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 19.1 mt -94.54 131.37 40.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.526 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.5 mt -124.88 142.75 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.528 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -164.85 148.39 8.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.736 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 61.58 20.17 11.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.022 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 75.48 27.62 63.11 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -146.62 148.89 32.55 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.837 0.351 . . . . 0.0 110.629 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -82.74 131.3 35.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.314 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 16.8 mt -79.23 136.89 37.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.38 . . . . 0.0 110.801 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -82.05 162.84 22.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.56 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.39 -41.9 15.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -83.2 41.14 2.88 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -139.67 179.98 6.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.765 0.317 . . . . 0.0 110.382 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 155' ' ' THR . . . . . 0.426 ' OG1' ' OD1' ' B' ' 158' ' ' ASP . 67.5 p -119.97 168.42 11.17 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.722 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.05 -40.15 94.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.707 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 157' ' ' SER . . . . . 0.539 ' C ' ' H ' ' B' ' 159' ' ' TYR . 5.7 t -58.38 -42.1 86.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.784 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . 0.426 ' OD1' ' OG1' ' B' ' 155' ' ' THR . 0.9 OUTLIER -54.85 -5.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.752 -179.738 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . 0.539 ' H ' ' C ' ' B' ' 157' ' ' SER . 69.6 m-85 -125.24 20.42 8.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.576 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 46.56 31.44 1.35 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.734 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 90.8 mt -79.81 102.09 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.426 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -79.32 -157.38 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.767 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -85.5 156.62 20.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.788 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 56.77 33.76 23.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.707 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 60.7 m -84.2 135.52 34.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.584 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 4.4 m -89.43 105.07 17.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.521 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.1 mt -92.34 129.37 38.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.712 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 168' ' ' HIS . . . . . 0.709 ' H ' ' HD1' ' B' ' 168' ' ' HIS . 0.2 OUTLIER -85.69 101.8 13.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.269 179.754 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 62.8 tp -81.93 141.77 33.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.654 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.3 t -144.27 158.59 15.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.384 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 7.4 mp -100.1 105.89 17.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.454 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . 0.655 ' NH1' HH21 ' A' ' 24' ' ' ARG . 14.8 ttt85 -53.39 120.71 6.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.644 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 28.3 mt -99.31 101.07 12.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.478 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 72.1 mmt-85 51.05 -165.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.513 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 161.97 48.87 0.02 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.655 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 201' ' ' MET . . . . . . . . . . . . . 1.6 ptt? . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -94.13 126.97 39.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.545 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 19.4 pt -116.23 149.85 18.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.647 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -98.64 140.66 32.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.687 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 87.8 t -129.22 109.27 18.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.41 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -94.7 133.13 38.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.651 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 207' ' ' THR . . . . . 0.432 ' HG1' ' H ' ' C' ' 211' ' ' LYS . 63.5 p -87.47 -154.62 0.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.314 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 208' ' ' LEU . . . . . 0.611 ' CD2' ' H ' ' C' ' 208' ' ' LEU . 0.5 OUTLIER -84.96 -37.01 20.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.432 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 5.2 p -78.73 -4.66 50.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.534 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 93.85 21.92 27.12 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 211' ' ' LYS . . . . . 0.432 ' H ' ' HG1' ' C' ' 207' ' ' THR . 51.1 tttp -81.22 111.77 17.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 110.492 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 19.8 m -90.09 141.99 28.15 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.722 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 2.8 mt -136.76 126.8 39.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.531 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 29.1 m -92.31 111.16 22.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.187 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 20.7 mt -115.61 132.79 56.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.963 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -80.4 123.22 27.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.155 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 217' ' ' VAL . . . . . . . . . . . . . 12.2 m -147.05 169.14 4.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.944 0.402 . . . . 0.0 110.901 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 218' ' ' GLU . . . . . 0.566 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 18.3 mp0 -124.7 149.4 62.19 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.08 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.39 -24.81 4.34 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.475 2.117 . . . . 0.0 112.374 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 220' ' ' SER . . . . . 0.42 ' H ' ' HG ' ' C' ' 220' ' ' SER . 1.6 p -92.45 10.46 29.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.062 -179.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 221' ' ' ASP . . . . . 0.566 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 39.3 m-20 -82.59 135.96 34.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.348 . . . . 0.0 110.299 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 222' ' ' THR . . . . . 0.404 ' O ' ' N ' ' C' ' 225' ' ' ASN . 10.8 p -83.63 136.3 34.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 223' ' ' ILE . . . . . 0.438 HD13 HG23 ' C' ' 223' ' ' ILE . 27.2 mm -45.16 -45.36 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.277 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -55.71 -36.24 66.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.152 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 225' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' C' ' 222' ' ' THR . 9.6 t-20 -65.3 -40.18 93.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.98 179.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 12.0 t -63.87 -54.44 31.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.003 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -48.18 -41.04 25.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.204 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -61.39 -46.0 92.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.29 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -56.16 -40.7 74.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.295 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 4.9 mt -64.27 -48.34 85.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.211 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -53.31 -28.61 29.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.247 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -78.51 -30.28 47.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.614 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -81.18 -66.71 0.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.59 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -80.66 -108.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.624 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -173.92 14.99 0.04 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 236' ' ' ILE . . . . . . . . . . . . . 45.4 mt -85.49 115.27 60.75 Favored Pre-proline 0 C--N 1.33 -0.282 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -62.79 149.69 90.54 Favored 'Trans proline' 0 C--N 1.314 -1.258 0 C-N-CA 121.57 1.514 . . . . 0.0 111.595 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 238' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.6 Cg_endo -48.29 -59.71 1.14 Allowed 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 122.362 2.041 . . . . 0.0 111.907 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -44.45 -21.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.61 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 240' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' C' ' 238' ' ' PRO . 77.0 mt-30 -109.08 38.03 2.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.627 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 241' ' ' GLN . . . . . 0.559 ' O ' ' NE ' ' C' ' 272' ' ' ARG . 69.7 mt-30 -134.65 159.43 41.26 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.489 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 242' ' ' ARG . . . . . 0.456 ' NH2' ' OD1' ' D' ' 328' ' ' ASN . 25.1 ttm180 -170.31 110.3 0.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.279 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 18.5 mt -89.21 131.54 35.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.184 0.516 . . . . 0.0 110.939 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 2.0 mt -129.64 122.85 56.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.068 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 245' ' ' PHE . . . . . 0.531 ' CE2' ' OD2' ' A' ' 25' ' ' ASP . 26.7 t80 -107.23 82.55 1.69 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.998 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 51.33 80.17 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 247' ' ' GLY . . . . . 0.618 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 60.39 43.28 98.85 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -151.0 94.56 2.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.758 0.313 . . . . 0.0 110.7 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -74.59 119.04 18.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.112 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 10.8 mt -82.39 135.44 35.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.864 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -80.53 161.6 24.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.534 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.67 -20.22 40.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.001 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -105.59 39.78 2.73 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -139.49 175.42 9.58 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 255' ' ' THR . . . . . 0.419 ' OG1' ' OD1' ' C' ' 258' ' ' ASP . 24.5 p -114.49 165.32 12.87 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.886 0.374 . . . . 0.0 110.659 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.42 -48.46 81.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.697 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 257' ' ' SER . . . . . 0.529 ' C ' ' H ' ' C' ' 259' ' ' TYR . 11.5 p -53.19 -38.62 62.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.841 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 258' ' ' ASP . . . . . 0.419 ' OD1' ' OG1' ' C' ' 255' ' ' THR . 10.4 m-20 -54.81 -5.09 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.851 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 259' ' ' TYR . . . . . 0.529 ' H ' ' C ' ' C' ' 257' ' ' SER . 75.0 m-85 -129.45 22.58 5.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.611 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 48.9 29.04 2.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.796 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 92.1 mt -80.02 98.92 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.451 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -81.05 -157.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.732 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.16 161.22 22.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.728 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 55.54 33.93 22.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.691 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 39.7 m -87.84 131.23 34.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.58 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 24.1 m -90.74 117.72 29.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.583 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 10.7 mt -111.99 153.26 27.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.431 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 268' ' ' HIS . . . . . . . . . . . . . 59.3 m80 -109.59 120.3 42.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.844 0.354 . . . . 0.0 110.251 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 269' ' ' LEU . . . . . 0.436 ' C ' ' CD2' ' C' ' 269' ' ' LEU . 6.0 tt -93.0 123.39 36.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 -179.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 1.6 t -127.02 136.16 61.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.209 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 271' ' ' LEU . . . . . 0.506 ' CD1' ' N ' ' C' ' 271' ' ' LEU . 7.4 mp -78.35 134.01 37.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.769 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 272' ' ' ARG . . . . . 0.559 ' NE ' ' O ' ' C' ' 241' ' ' GLN . 13.6 mtt180 -73.16 140.17 46.85 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.307 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 273' ' ' LEU . . . . . 0.514 ' C ' ' H ' ' C' ' 275' ' ' GLY . 19.3 mt -116.06 60.59 0.72 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.531 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 23.3 ptt85 -72.01 39.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.593 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 275' ' ' GLY . . . . . 0.514 ' H ' ' C ' ' C' ' 273' ' ' LEU . . . 60.89 -123.81 33.75 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 276' ' ' CYS . . . . . 0.435 ' SG ' ' OXT' ' C' ' 276' ' ' CYS . 20.9 p . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.559 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.682 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 10.9 m -72.38 92.12 1.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.733 0.302 . . . . 0.0 110.587 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 311' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -138.64 107.56 5.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.402 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 312' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -128.73 -176.47 3.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.459 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -106.51 149.52 27.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.503 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 314' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' D' ' 314' ' ' ASP . 31.6 p30 -79.92 92.88 5.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.542 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 17.4 mt -98.14 39.36 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.513 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 7.2 t -80.91 6.29 13.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.668 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -147.45 72.33 1.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.657 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 11.1 m95 -132.14 165.74 23.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.395 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -109.31 158.22 18.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.43 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -56.37 -52.58 64.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.522 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -61.1 -44.73 96.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -53.46 -51.59 62.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.656 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.0 -57.62 12.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.468 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 324' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -53.5 -53.02 57.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.642 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 325' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' D' ' 329' ' ' THR . 17.8 m-20 -56.31 -49.45 74.26 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.573 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 326' ' ' THR . . . . . 0.53 ' O ' ' N ' ' D' ' 330' ' ' SER . 64.1 m -50.94 -45.19 60.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.61 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 327' ' ' ILE . . . . . 0.44 HD11 HG21 ' D' ' 327' ' ' ILE . 95.1 mt -68.31 -33.99 63.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.61 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 328' ' ' ASN . . . . . 0.456 ' OD1' ' NH2' ' C' ' 242' ' ' ARG . 12.2 m-80 -92.91 1.45 57.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.915 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.509 ' N ' ' O ' ' D' ' 325' ' ' ASP . 73.6 p -129.81 -10.59 4.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.869 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 330' ' ' SER . . . . . 0.53 ' N ' ' O ' ' D' ' 326' ' ' THR . 3.0 t -118.7 170.04 9.31 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.967 0.413 . . . . 0.0 110.97 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 331' ' ' CYS . . . . . 0.618 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 38.4 t -139.88 24.41 2.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.406 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -87.23 97.36 10.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.344 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 1.6 mt -38.71 -45.94 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.894 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -54.68 -58.84 5.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.425 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 335' ' ' LEU . . . . . 0.492 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 10.7 mt -56.43 -39.92 73.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.14 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 96.8 mt -59.92 -42.62 94.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.472 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -68.99 -49.21 59.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.359 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.95 99.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.445 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 339' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 81.6 m -60.33 -53.7 54.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.089 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 12.3 mtp85 -55.12 -42.03 72.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.194 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -56.4 -56.9 15.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.832 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 342' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -68.28 -38.52 81.79 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.678 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -58.24 -33.21 69.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.542 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 344' ' ' HIS . . . . . 0.508 ' HE2' ' CD2' ' C' ' 273' ' ' LEU . 10.0 m-70 -85.99 -52.55 5.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.249 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -48.24 -34.0 9.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.155 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 70.8 mtt-85 -67.32 -31.48 71.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.616 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 12.7 mt -89.7 -44.4 10.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.619 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -65.81 -42.88 90.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.683 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 349' ' ' VAL . . . . . 0.519 ' O ' ' N ' ' D' ' 351' ' ' HIS . 2.6 t 41.75 -129.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.554 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 350' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' D' ' 349' ' ' VAL . 68.6 m-85 34.2 31.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.967 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 351' ' ' HIS . . . . . 0.519 ' N ' ' O ' ' D' ' 349' ' ' VAL . 55.2 t-80 . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.533 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 10' ' ' THR . . . . . . . . 0 CA--C 1.524 0.624 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.496 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.7 OUTLIER 34.75 55.25 0.71 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.205 0.526 . . . . 0.0 111.055 179.714 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.509 ' O ' ' CZ ' ' A' ' 13' ' ' TYR . 33.4 mttp -80.17 60.95 3.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.53 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.41 ' C ' ' CG ' ' A' ' 13' ' ' TYR . 1.5 mptp? -63.52 -173.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.459 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.509 ' CZ ' ' O ' ' A' ' 11' ' ' LYS . 20.5 m-85 -151.26 141.46 22.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 4.4 p-10 -83.63 92.78 7.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.53 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.1 mt -98.28 45.11 1.02 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.497 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 82.7 p -84.47 16.02 3.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.722 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.2 pttm -169.55 84.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.935 0.398 . . . . 0.0 110.654 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -134.8 170.78 15.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.264 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -115.87 163.95 15.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.644 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -64.24 -49.72 70.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.483 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.66 -36.68 81.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.609 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -64.99 -56.64 11.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.503 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.2 mt -55.87 -56.76 16.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.459 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.509 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 5.2 tpt180 -52.95 -40.71 63.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.44 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.44 ' O ' ' OG1' ' A' ' 29' ' ' THR . 14.3 m-20 -64.89 -48.37 74.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.389 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.526 ' O ' ' N ' ' A' ' 30' ' ' SER . 7.8 m -54.08 -43.78 70.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.639 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.492 ' CD1' ' SG ' ' A' ' 39' ' ' CYS . 96.7 mt -76.05 -27.07 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.73 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.708 HD22 HH22 ' B' ' 142' ' ' ARG . 0.9 OUTLIER -90.66 -5.23 56.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.091 -179.624 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 75.2 p -129.66 -43.77 1.24 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.04 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.5 OUTLIER -78.69 149.21 32.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.957 0.408 . . . . 0.0 111.093 -179.483 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.542 ' SG ' ' CG ' ' B' ' 168' ' ' HIS . 21.5 t -122.72 30.32 6.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.255 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' ILE . 16.5 m-20 -93.47 93.52 8.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.445 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' ASP . 2.2 mt -38.46 -41.04 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.953 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -57.48 -59.0 5.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.374 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.9 mt -58.43 -38.52 77.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.146 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 65.6 mt -58.91 -43.98 91.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.104 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.17 -48.65 77.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.189 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.407 ' O ' ' HG2' ' A' ' 41' ' ' GLU . . . -65.75 -41.2 92.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.251 179.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.492 ' SG ' ' CD1' ' A' ' 27' ' ' ILE . 46.5 t -64.02 -45.11 90.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.057 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.8 mtp85 -64.77 -42.72 94.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.244 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 42' ' ' GLU . 2.2 pt-20 -62.97 -45.1 94.04 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.918 -178.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 41' ' ' GLU . 2.8 pt-20 -67.63 -36.3 80.52 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.085 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -60.99 -44.99 96.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.285 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -66.38 -51.54 56.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.269 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -46.91 -55.4 8.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.243 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 mtp85 -46.12 -41.36 12.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.503 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.96 -36.14 69.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.459 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -71.8 -73.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.544 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.8 m -96.09 176.43 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.511 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -85.32 32.16 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.568 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.529 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.517 ' N ' ' O ' ' B' ' 117' ' ' VAL . 27.7 ttp . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -68.97 130.42 42.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.553 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 5.0 pt -131.55 142.97 41.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.557 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -93.01 127.72 38.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.576 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 82.2 t -114.22 106.96 21.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.363 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -79.49 120.79 24.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.387 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 69.1 p -88.32 -162.33 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.606 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.743 ' CD2' ' H ' ' B' ' 108' ' ' LEU . 0.0 OUTLIER -77.68 -59.48 2.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.178 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 50.8 p -57.7 -2.99 0.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.56 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . 0.535 ' H ' ' C ' ' B' ' 108' ' ' LEU . . . 91.73 7.47 64.66 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -70.48 115.21 9.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 0.0 110.456 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.9 m -92.12 110.6 21.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.615 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 6.7 mt -96.83 148.74 5.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.635 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 17.4 m -107.59 98.31 7.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.471 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' B' ' 115' ' ' LEU . 3.7 mm? -92.77 129.82 38.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.854 0.359 . . . . 0.0 110.777 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -90.21 116.72 28.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.893 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' B' ' 101' ' ' MET . 12.6 m -146.81 -161.68 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.053 0.454 . . . . 0.0 111.113 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.529 ' N ' ' OD2' ' B' ' 121' ' ' ASP . 44.5 mt-10 -150.13 152.42 33.68 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.718 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.22 -43.51 20.98 Favored 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.721 2.281 . . . . 0.0 112.853 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.49 17.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.53 -179.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' B' ' 118' ' ' GLU . 5.1 m-20 -92.43 138.3 31.63 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.349 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 6.5 p -81.97 138.51 34.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.965 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . 0.42 HG23 HD13 ' B' ' 123' ' ' ILE . 22.0 mm -47.86 -52.47 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.198 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -46.68 -42.9 17.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.263 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.49 ' OD1' ' NZ ' ' B' ' 129' ' ' LYS . 37.1 t-20 -61.13 -39.84 91.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.06 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 21.7 t -62.6 -48.46 88.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.152 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . 0.425 ' HA ' HE22 ' B' ' 141' ' ' GLN . 86.8 mttt -53.67 -38.24 63.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.287 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.96 -40.15 94.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.37 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.49 ' NZ ' ' OD1' ' B' ' 125' ' ' ASN . 60.7 mttp -61.39 -44.19 97.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.303 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 9.2 mt -62.54 -51.82 67.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.297 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . 0.436 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.7 OUTLIER -51.19 -32.67 24.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.43 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -74.35 -26.51 60.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.424 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt -81.08 -63.95 1.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.415 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -85.57 -109.23 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.634 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -169.41 16.93 0.06 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 68.1 mt -83.86 114.72 55.83 Favored Pre-proline 0 CA--C 1.532 0.279 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -64.35 147.77 90.84 Favored 'Trans proline' 0 C--N 1.315 -1.193 0 C-N-CA 121.512 1.474 . . . . 0.0 111.525 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.488 ' O ' ' N ' ' B' ' 140' ' ' GLN . 2.6 Cg_endo -48.1 -62.59 0.41 Allowed 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 122.344 2.029 . . . . 0.0 111.85 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -39.98 -24.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.811 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' B' ' 138' ' ' PRO . 12.2 mm100 -105.83 43.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.551 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' B' ' 138' ' ' PRO . 9.0 mt-30 -134.34 155.14 50.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.618 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . 0.708 HH22 HD22 ' A' ' 28' ' ' ASN . 11.4 ttm180 -170.39 102.06 0.27 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.058 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.3 mt -84.16 133.36 34.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.006 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.7 mt -127.52 142.17 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.069 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -146.72 104.24 3.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.762 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 65.74 69.88 0.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.842 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 41.31 46.78 4.43 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -150.8 120.73 7.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.34 . . . . 0.0 110.568 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -83.33 126.45 32.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.327 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 12.9 mt -81.04 126.59 31.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.727 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . 0.673 ' H ' ' HH ' ' B' ' 159' ' ' TYR . 39.9 mt-10 -68.95 161.97 27.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.544 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.33 -33.3 23.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.971 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -89.98 41.87 2.97 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -139.64 176.35 8.8 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 43.8 p -116.72 163.66 15.8 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.723 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 64.5 mt -60.6 -37.5 81.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.533 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 157' ' ' SER . . . . . 0.528 ' C ' ' H ' ' B' ' 159' ' ' TYR . 10.4 t -61.51 -32.4 72.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.736 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -71.71 14.95 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.715 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . 0.673 ' HH ' ' H ' ' B' ' 151' ' ' GLU . 55.5 m-85 -140.64 6.62 2.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.53 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 59.75 28.73 18.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.631 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 97.0 mt -80.95 98.95 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.473 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -79.77 -157.56 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.618 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 31.9 ptt-85 -83.87 158.29 21.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.704 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 56.65 31.92 20.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.767 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 46.9 m -84.91 136.49 33.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.66 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 10.6 m -90.93 103.41 16.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.498 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 10.2 mt -95.92 121.2 37.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.639 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 168' ' ' HIS . . . . . 0.765 ' H ' ' HD1' ' B' ' 168' ' ' HIS . 0.2 OUTLIER -77.81 97.01 5.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.27 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 43.6 tp -81.35 132.66 35.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.734 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 3.0 t -130.51 161.59 40.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.24 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . 0.471 ' N ' ' CD1' ' B' ' 171' ' ' LEU . 6.9 mp -97.85 110.17 22.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.498 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -65.68 103.19 0.83 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.497 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 13.9 mt -77.66 167.78 21.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.622 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -80.31 162.73 24.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.473 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . -170.92 -163.17 24.51 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.985 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 201' ' ' MET . . . . . 0.525 ' N ' ' O ' ' C' ' 217' ' ' VAL . 31.4 ttp . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -89.01 110.72 21.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.779 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 18.7 pt -107.95 147.09 13.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.339 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -98.44 135.49 39.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.798 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 59.0 t -124.0 110.52 25.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.057 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 206' ' ' LYS . . . . . 0.511 ' NZ ' ' OG1' ' C' ' 212' ' ' THR . 39.3 mttm -95.55 137.2 34.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.971 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 69.6 p -89.71 -160.7 0.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.146 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 208' ' ' LEU . . . . . 0.603 ' N ' ' CD1' ' C' ' 208' ' ' LEU . 1.6 mp -100.98 23.2 11.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 110.571 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 2.2 p -136.57 0.22 2.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.41 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 92.51 29.57 10.85 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -103.2 110.77 22.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.807 0.337 . . . . 0.0 110.567 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 212' ' ' THR . . . . . 0.511 ' OG1' ' NZ ' ' C' ' 206' ' ' LYS . 10.2 m -93.79 146.98 23.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.627 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 2.6 mt -138.16 127.25 32.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.906 0.384 . . . . 0.0 110.663 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 8.6 m -92.35 115.7 28.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.309 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 17.3 mt -117.16 123.28 46.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.89 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -81.5 121.43 26.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.078 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 217' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' C' ' 201' ' ' MET . 29.2 m -149.0 -165.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.99 0.424 . . . . 0.0 111.008 -179.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 218' ' ' GLU . . . . . 0.504 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 2.8 mt-10 -142.39 148.52 47.75 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.751 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.92 -25.24 2.6 Favored 'Trans proline' 0 C--N 1.31 -1.499 0 C-N-CA 122.412 2.074 . . . . 0.0 112.364 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.9 p -80.49 -28.97 37.39 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.954 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 221' ' ' ASP . . . . . 0.504 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 0.9 OUTLIER -44.85 137.77 3.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.39 . . . . 0.0 110.664 -179.714 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 222' ' ' THR . . . . . 0.403 ' O ' ' N ' ' C' ' 225' ' ' ASN . 19.9 p -87.9 138.14 31.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.509 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 223' ' ' ILE . . . . . 0.425 HD11 HG22 ' C' ' 223' ' ' ILE . 18.6 mm -42.15 -52.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.59 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -51.42 -36.25 42.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.568 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 225' ' ' ASN . . . . . 0.655 ' ND2' ' HZ2' ' C' ' 229' ' ' LYS . 0.1 OUTLIER -65.3 -41.22 94.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.863 0.363 . . . . 0.0 110.067 179.572 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 41.3 t -62.87 -45.15 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.979 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -55.62 -41.99 74.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.016 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.93 91.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.236 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 229' ' ' LYS . . . . . 0.655 ' HZ2' ' ND2' ' C' ' 225' ' ' ASN . 44.6 mttp -55.95 -46.59 78.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.247 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 41.9 mt -59.59 -40.02 80.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.293 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -59.06 -35.1 72.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.157 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.55 -24.96 61.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.481 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 19.7 mmtm -82.09 -62.26 1.68 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.593 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -88.31 -106.3 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.565 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -173.03 11.78 0.04 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.831 -0.907 . . . . 0.0 110.831 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 236' ' ' ILE . . . . . 0.486 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 17.6 mt -84.39 115.63 61.3 Favored Pre-proline 0 C--N 1.329 -0.295 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.01 151.2 79.97 Favored 'Trans proline' 0 C--N 1.314 -1.243 0 C-N-CA 121.504 1.469 . . . . 0.0 111.679 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 238' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.8 Cg_endo -48.49 -62.33 0.45 Allowed 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.404 2.069 . . . . 0.0 111.919 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -43.51 -20.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.633 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 240' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' C' ' 238' ' ' PRO . 81.6 mt-30 -106.54 33.14 4.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.522 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 241' ' ' GLN . . . . . 0.508 ' N ' ' O ' ' C' ' 238' ' ' PRO . 70.6 mt-30 -134.36 145.29 48.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.675 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 242' ' ' ARG . . . . . 0.71 HH21 ' HE ' ' C' ' 272' ' ' ARG . 40.2 ttm-85 -155.81 117.63 4.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.131 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 12.5 mt -96.54 136.33 37.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.153 0.502 . . . . 0.0 111.275 -179.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 2.1 mt -129.84 120.86 50.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.898 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 245' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -106.85 75.25 1.04 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.886 0.374 . . . . 0.0 111.055 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 54.05 88.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 247' ' ' GLY . . . . . 0.628 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 56.33 40.97 86.65 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -150.32 91.8 1.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.773 0.32 . . . . 0.0 110.544 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 249' ' ' GLN . . . . . 0.471 ' CD ' ' NH1' ' C' ' 242' ' ' ARG . 8.2 tt0 -75.01 112.24 11.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.98 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 9.7 mt -73.32 130.36 40.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.93 0.395 . . . . 0.0 110.834 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -80.44 158.75 25.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.421 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.44 -0.96 43.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.872 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -123.04 36.71 3.0 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.61 -177.82 4.79 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 255' ' ' THR . . . . . 0.51 ' C ' ' H ' ' C' ' 257' ' ' SER . 33.4 p -122.06 158.83 28.36 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.886 0.374 . . . . 0.0 110.601 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.67 -1.09 0.34 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.644 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 257' ' ' SER . . . . . 0.523 ' C ' ' H ' ' C' ' 259' ' ' TYR . 93.8 p -96.47 -30.3 13.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.686 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 258' ' ' ASP . . . . . 0.423 ' OD1' ' OG1' ' C' ' 255' ' ' THR . 0.9 OUTLIER -69.81 12.97 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.647 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 259' ' ' TYR . . . . . 0.523 ' H ' ' C ' ' C' ' 257' ' ' SER . 74.7 m-85 -140.82 -0.61 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.552 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 260' ' ' ASN . . . . . 0.432 ' O ' ' OE1' ' C' ' 262' ' ' GLN . 9.0 t-20 60.82 54.18 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.633 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 96.7 mt -98.22 105.34 17.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.417 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 262' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' C' ' 260' ' ' ASN . 2.4 mp0 -84.09 -168.04 1.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.818 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -73.29 160.28 32.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.794 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 51.7 31.7 8.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.76 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 38.2 m -86.0 131.75 34.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.583 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 12.2 m -85.33 129.36 34.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.55 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 10.4 mt -123.84 132.56 53.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.582 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 268' ' ' HIS . . . . . 0.79 ' N ' ' HD1' ' C' ' 268' ' ' HIS . 0.1 OUTLIER -85.17 111.7 20.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.097 179.831 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 269' ' ' LEU . . . . . 0.401 HD13 ' H ' ' C' ' 270' ' ' VAL . 45.5 tp -88.33 133.64 34.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.63 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 270' ' ' VAL . . . . . 0.401 ' H ' HD13 ' C' ' 269' ' ' LEU . 2.0 t -133.26 140.33 47.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.376 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 271' ' ' LEU . . . . . 0.557 ' CD1' ' N ' ' C' ' 271' ' ' LEU . 6.7 mp -82.64 100.57 10.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.522 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 272' ' ' ARG . . . . . 0.71 ' HE ' HH21 ' C' ' 242' ' ' ARG . 17.2 ttt-85 -55.56 110.16 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.6 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 273' ' ' LEU . . . . . . . . . . . . . 43.3 mt -74.06 94.08 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.576 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 274' ' ' ARG . . . . . 0.477 HH11 ' NH1' ' C' ' 272' ' ' ARG . 0.0 OUTLIER -87.47 110.05 20.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.383 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . -44.22 -55.56 5.75 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.628 179.934 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.658 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 9.0 m -77.49 64.22 2.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 110.575 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 311' ' ' LYS . . . . . . . . . . . . . 47.1 mttp 38.42 83.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.717 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 312' ' ' LYS . . . . . 0.525 ' O ' ' CD1' ' D' ' 313' ' ' TYR . 59.6 mmtt -69.59 -158.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.475 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 313' ' ' TYR . . . . . 0.525 ' CD1' ' O ' ' D' ' 312' ' ' LYS . 6.0 m-85 -150.55 122.33 8.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.6 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.92 92.95 5.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.493 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 10.6 mt -91.45 43.29 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.492 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 72.3 m -83.61 18.45 1.9 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.769 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -172.68 83.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 110.69 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -132.82 170.98 14.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.309 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -119.64 166.19 13.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.724 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 320' ' ' TYR . . . . . 0.477 ' C ' ' CD1' ' D' ' 320' ' ' TYR . 10.5 t80 -60.5 -48.82 80.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.558 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -59.66 -48.7 80.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.798 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 322' ' ' GLU . . . . . 0.434 ' O ' ' OG1' ' D' ' 326' ' ' THR . 60.4 mm-40 -55.19 -57.56 11.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 15.4 mt -56.81 -55.67 31.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.743 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 324' ' ' ARG . . . . . 0.646 ' NH1' HD22 ' D' ' 328' ' ' ASN . 7.4 tpt85 -52.99 -47.76 67.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.552 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 325' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' D' ' 329' ' ' THR . 1.0 OUTLIER -63.36 -47.42 82.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.327 179.902 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 326' ' ' THR . . . . . 0.507 ' O ' ' N ' ' D' ' 330' ' ' SER . 21.7 m -53.49 -45.3 69.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.596 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 95.8 mt -75.65 -25.43 17.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.733 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 328' ' ' ASN . . . . . 0.646 HD22 ' NH1' ' D' ' 324' ' ' ARG . 0.9 OUTLIER -95.16 -1.5 51.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.064 -179.648 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.464 ' N ' ' O ' ' D' ' 325' ' ' ASP . 62.6 p -135.15 -43.05 0.72 Allowed 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 121.002 -0.279 . . . . 0.0 111.245 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 330' ' ' SER . . . . . 0.507 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.4 OUTLIER -75.4 163.44 27.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.017 0.437 . . . . 0.0 111.218 -179.289 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 331' ' ' CYS . . . . . 0.628 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 27.6 p -140.86 88.49 2.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.468 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -160.14 98.88 1.33 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.342 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 2.1 mt -38.82 -43.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.884 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -54.79 -58.93 5.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.346 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 335' ' ' LEU . . . . . 0.492 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 7.3 mt -60.43 -51.09 70.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.115 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 45.1 mt -50.42 -45.79 55.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.52 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.37 -48.72 80.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.303 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 338' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' D' ' 341' ' ' GLU . . . -68.03 -32.36 72.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.475 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 339' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 76.7 m -65.31 -45.97 82.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.115 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 14.3 mtp-105 -67.81 -43.03 80.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.222 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 341' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' D' ' 342' ' ' GLU . 4.8 pt-20 -60.68 -45.85 92.61 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.798 -179.081 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 342' ' ' GLU . . . . . 0.466 ' N ' ' CG ' ' D' ' 341' ' ' GLU . 3.1 pt-20 -68.39 -39.05 81.84 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.232 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.82 -53.04 62.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.014 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 344' ' ' HIS . . . . . 0.516 ' O ' ' N ' ' D' ' 348' ' ' LYS . 76.2 m-70 -59.66 -52.34 65.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.343 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.67 -40.77 20.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.164 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -66.43 -47.52 72.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.517 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' D' ' 347' ' ' LEU . 4.3 mm? -77.62 -12.23 59.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.339 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 348' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' D' ' 344' ' ' HIS . 81.2 tttt -84.32 -70.11 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.494 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 349' ' ' VAL . . . . . 0.497 ' O ' ' CD1' ' D' ' 350' ' ' TYR . 6.1 m -92.36 179.22 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.459 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 350' ' ' TYR . . . . . 0.517 ' O ' ' CG ' ' D' ' 351' ' ' HIS . 71.9 m-85 -152.68 31.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.509 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 351' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' D' ' 350' ' ' TYR . 18.0 p80 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.74 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.703 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.9 m -78.58 95.99 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 0.0 110.53 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -140.18 60.28 1.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.587 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.543 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 2.9 mptp? -90.14 177.53 6.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.464 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -106.93 117.52 34.28 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.525 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -81.05 92.97 6.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.599 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.1 mt -89.24 42.58 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.459 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.8 p -79.74 17.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -171.82 82.31 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.908 0.385 . . . . 0.0 110.707 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -131.81 167.15 20.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.295 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.53 166.91 12.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.684 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.507 ' OH ' ' N ' ' B' ' 176' ' ' GLY . 8.9 t80 -62.31 -48.06 81.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.561 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.74 -36.84 79.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.728 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.42 ' O ' ' OG1' ' A' ' 26' ' ' THR . 71.4 mm-40 -68.23 -54.54 16.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.802 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.5 mt -57.96 -57.61 12.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.606 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.664 ' NH1' HD22 ' A' ' 28' ' ' ASN . 14.7 tpt85 -53.15 -53.52 49.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.371 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' A' ' 29' ' ' THR . 6.1 t70 -53.16 -51.25 62.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.299 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.571 ' O ' ' N ' ' A' ' 30' ' ' SER . 24.3 m -51.27 -53.18 38.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.612 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.414 HD12 HG23 ' A' ' 27' ' ' ILE . 88.3 mt -66.19 -20.01 26.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.64 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.664 HD22 ' NH1' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -103.59 -1.68 27.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.414 -179.488 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.537 ' N ' ' O ' ' A' ' 25' ' ' ASP . 41.7 p -139.82 -1.16 1.64 Allowed 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.861 -0.335 . . . . 0.0 111.133 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 26' ' ' THR . 3.1 t -115.93 168.94 9.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.009 0.433 . . . . 0.0 110.901 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.425 ' H ' ' HG ' ' A' ' 30' ' ' SER . 8.7 p -147.68 85.81 1.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.44 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -160.34 104.71 1.46 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.69 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.539 ' H ' ' CD1' ' A' ' 33' ' ' ILE . 1.1 mp -41.22 -42.56 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.56 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -56.45 -56.68 18.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.297 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.492 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 11.5 mt -63.25 -50.15 71.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.173 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.8 mt -52.05 -45.46 64.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.447 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.24 -49.31 70.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.815 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.7 -44.04 97.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.614 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 80.4 m -58.18 -53.55 57.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.468 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.6 mtp-105 -57.07 -41.37 78.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.417 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -55.91 -59.68 4.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -63.08 -36.08 82.41 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.806 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -58.3 -41.18 83.88 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.38 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -72.44 -51.59 19.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.385 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -45.9 -48.83 16.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.335 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.419 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 72.3 mtt-85 -52.73 -33.73 49.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.406 179.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.5 mt -81.45 -50.23 9.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.509 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 49' ' ' VAL . 69.8 tttt -53.7 -67.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.573 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.425 ' O ' ' O ' ' A' ' 48' ' ' LYS . 5.0 t 53.77 106.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.512 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.502 ' CD2' ' O ' ' A' ' 50' ' ' TYR . 11.6 p90 -78.43 90.5 4.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.516 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 16.3 p80 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.512 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.564 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . 0.423 ' CD ' ' CG2' ' B' ' 114' ' ' THR . 18.5 tt0 -95.93 140.67 30.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.121 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 3.8 pt -135.01 156.4 39.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.904 0.383 . . . . 0.0 110.812 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -111.11 127.32 55.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.395 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 86.9 t -113.59 110.44 32.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.397 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -95.56 133.74 39.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.768 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 21.7 p -92.59 -163.49 1.05 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.307 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.615 ' CD2' ' H ' ' B' ' 108' ' ' LEU . 0.5 OUTLIER -84.25 -23.43 30.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.343 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 5.6 p -83.93 2.35 39.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.468 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.27 12.56 80.49 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -82.15 122.86 28.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.751 0.31 . . . . 0.0 110.543 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.5 m -99.75 134.48 42.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.626 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 4.2 mt -122.97 129.58 75.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' THR . . . . . 0.423 ' CG2' ' CD ' ' B' ' 102' ' ' GLN . 8.4 m -88.52 101.44 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.348 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.447 ' CD2' ' N ' ' B' ' 115' ' ' LEU . 4.2 mm? -98.97 125.41 44.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.987 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -87.91 117.89 27.07 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . 0.564 ' O ' ' N ' ' B' ' 101' ' ' MET . 6.0 m -141.96 -158.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.334 0.588 . . . . 0.0 111.563 -178.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.524 ' N ' ' OD2' ' B' ' 121' ' ' ASP . 5.6 mt-10 -146.99 170.43 7.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.394 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -75.24 -16.58 19.61 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 122.385 2.057 . . . . 0.0 112.354 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.2 p -100.86 6.89 43.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.748 0.309 . . . . 0.0 110.739 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . 0.524 ' OD2' ' N ' ' B' ' 118' ' ' GLU . 45.1 m-20 -78.53 141.78 37.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.427 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 82.3 p -85.66 143.36 28.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 25.2 mm -51.74 -46.38 38.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.204 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' B' ' 125' ' ' ASN . 11.0 pt-20 -53.68 -40.32 65.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.294 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.518 ' OD1' ' NZ ' ' B' ' 129' ' ' LYS . 41.8 t-20 -63.17 -37.99 89.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.175 179.682 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 46.0 t -64.28 -49.91 78.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.158 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -53.04 -38.34 62.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.161 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.55 -41.32 96.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.371 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.518 ' NZ ' ' OD1' ' B' ' 125' ' ' ASN . 36.3 mttp -60.37 -43.35 96.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.346 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 9.6 mt -63.67 -42.87 97.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.285 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . 0.432 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.5 OUTLIER -60.64 -24.91 65.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.425 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -84.95 -19.74 31.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.689 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -89.83 -56.75 3.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.826 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -90.48 -106.21 0.09 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.757 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -172.97 22.67 0.07 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.526 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 15.8 mt -95.53 111.14 54.43 Favored Pre-proline 0 C--N 1.329 -0.292 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -63.2 153.35 74.67 Favored 'Trans proline' 0 C--N 1.314 -1.239 0 C-N-CA 121.518 1.479 . . . . 0.0 111.651 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.5 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -46.9 -65.0 0.2 Allowed 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.502 2.134 . . . . 0.0 111.859 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.33 -19.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.666 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' B' ' 138' ' ' PRO . 32.0 mm-40 -112.22 36.15 3.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.523 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 51.9 mt-30 -134.43 160.55 37.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.551 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -170.21 139.72 1.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.042 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 31.3 mt -120.29 137.85 54.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.989 0.423 . . . . 0.0 110.998 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . 0.413 ' O ' ' CG ' ' B' ' 168' ' ' HIS . 1.7 mt -129.34 123.29 57.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.055 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -141.57 146.47 36.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.428 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 62.21 21.53 12.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.618 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 73.72 30.01 62.47 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 65.5 mttt -146.44 143.47 29.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.796 0.331 . . . . 0.0 110.636 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -78.05 134.23 37.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.382 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 12.8 mt -85.33 136.68 33.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.751 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -80.53 160.31 25.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.469 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.75 -29.1 36.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.839 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -92.86 40.26 2.86 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 33.2 mmt-85 -139.64 178.72 7.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.751 0.31 . . . . 0.0 110.44 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 76.5 p -119.73 179.03 4.36 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.583 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 92.0 mt -80.46 -13.22 59.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.773 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 4.2 p -87.89 -14.38 39.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.586 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.33 -9.64 58.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.663 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -118.84 16.0 13.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.598 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 54.92 18.11 2.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.973 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 78.1 mt -65.76 91.38 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.287 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -74.38 -157.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.595 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -84.37 156.67 21.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.726 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 59.89 32.83 21.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.679 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 38.2 m -85.12 131.88 34.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.585 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 9.0 m -93.36 97.0 10.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.6 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . 0.401 ' C ' ' HD1' ' B' ' 168' ' ' HIS . 3.4 mp -88.6 154.75 20.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.621 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 168' ' ' HIS . . . . . 0.655 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -104.31 113.96 27.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.075 179.522 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 28.9 tp -90.85 124.2 34.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.565 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.0 t -127.24 138.4 54.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.165 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . 0.436 ' N ' ' CD1' ' B' ' 171' ' ' LEU . 8.4 mp -77.9 103.04 7.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.702 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . 0.425 ' O ' ' OE1' ' B' ' 140' ' ' GLN . 57.7 ttt180 -60.65 94.44 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.528 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.91 130.38 45.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.649 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 71.2 mtt-85 -78.56 148.14 33.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.571 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 153.48 -151.95 23.64 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . 0.507 ' N ' ' OH ' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.525 0.696 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 201' ' ' MET . . . . . 0.531 ' N ' ' O ' ' C' ' 217' ' ' VAL . 32.2 ttp . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 202' ' ' GLN . . . . . 0.522 ' OE1' ' N ' ' C' ' 202' ' ' GLN . 4.4 mp0 -76.08 144.7 40.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.435 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 14.9 pt -147.68 141.68 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.344 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -93.56 140.31 29.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.839 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 19.6 t -128.73 110.69 21.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.084 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 206' ' ' LYS . . . . . 0.541 ' HZ3' ' CD1' ' D' ' 333' ' ' ILE . 8.0 mtmp? -92.94 130.73 38.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.657 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 58.0 p -89.29 -158.46 0.51 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.435 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 208' ' ' LEU . . . . . 0.608 ' CD2' ' H ' ' C' ' 208' ' ' LEU . 0.6 OUTLIER -82.28 -33.63 29.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.3 179.882 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 9.4 p -82.3 -2.85 54.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.589 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 91.02 19.84 41.45 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -79.89 116.81 20.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.329 . . . . 0.0 110.553 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 6.4 m -94.43 137.69 33.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.601 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -130.03 128.48 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.54 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 55.0 m -94.18 98.45 10.96 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.343 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 11.0 mp -100.08 136.39 40.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.906 0.384 . . . . 0.0 110.819 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 216' ' ' GLU . . . . . 0.415 ' CD ' HE22 ' C' ' 202' ' ' GLN . 38.0 tt0 -91.78 121.25 33.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.103 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 217' ' ' VAL . . . . . 0.531 ' O ' ' N ' ' C' ' 201' ' ' MET . 34.0 m -145.01 -162.82 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.926 0.393 . . . . 0.0 110.904 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 218' ' ' GLU . . . . . 0.521 ' N ' ' OD2' ' C' ' 221' ' ' ASP . 5.5 mt-10 -140.06 171.16 8.26 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.725 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -73.44 -32.27 8.15 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 122.303 2.002 . . . . 0.0 112.031 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.64 1.13 35.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.446 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 221' ' ' ASP . . . . . 0.521 ' OD2' ' N ' ' C' ' 218' ' ' GLU . 30.5 m-20 -74.57 138.8 43.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.56 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 222' ' ' THR . . . . . 0.529 ' HG1' ' H ' ' C' ' 225' ' ' ASN . 11.9 p -87.02 139.7 30.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.838 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 223' ' ' ILE . . . . . 0.422 HD12 HG23 ' C' ' 223' ' ' ILE . 24.8 mm -46.8 -37.92 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.296 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -58.49 -45.28 89.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.357 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 225' ' ' ASN . . . . . 0.529 ' H ' ' HG1' ' C' ' 222' ' ' THR . 55.6 m-80 -61.07 -38.84 87.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.073 179.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 39.7 t -62.28 -44.79 99.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.098 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -57.63 -38.94 75.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.224 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.37 99.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.208 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -60.42 -47.44 86.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.238 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 60.8 mt -61.73 -29.58 46.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.336 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -67.64 -39.3 84.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.058 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -69.49 -25.42 64.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.358 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm -81.68 -60.41 2.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.553 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -88.48 -103.04 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.6 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 178.03 13.63 0.02 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 236' ' ' ILE . . . . . 0.513 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 48.8 mt -83.23 123.2 77.44 Favored Pre-proline 0 C--N 1.33 -0.266 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -58.14 146.65 87.28 Favored 'Trans proline' 0 C--N 1.313 -1.294 0 C-N-CA 121.536 1.49 . . . . 0.0 111.632 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 238' ' ' PRO . . . . . 0.536 ' C ' ' H ' ' C' ' 240' ' ' GLN . 2.7 Cg_endo -51.83 -45.33 39.11 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.3 2.0 . . . . 0.0 111.962 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 239' ' ' ASP . . . . . 0.501 ' N ' ' OD1' ' C' ' 239' ' ' ASP . 0.7 OUTLIER -69.12 13.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.754 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 240' ' ' GLN . . . . . 0.536 ' H ' ' C ' ' C' ' 238' ' ' PRO . 62.2 mt-30 -141.34 33.08 1.69 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.629 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 241' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 65.0 mt-30 -134.6 89.94 2.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.868 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 242' ' ' ARG . . . . . 0.513 ' NH2' ' OE1' ' C' ' 249' ' ' GLN . 33.5 ttm-85 -90.13 129.97 36.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.133 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 10.9 mt -109.66 126.86 54.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.048 0.451 . . . . 0.0 110.985 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.5 mt -122.51 127.0 74.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.085 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 245' ' ' PHE . . . . . 0.528 ' CE1' ' OD2' ' A' ' 25' ' ' ASP . 51.9 t80 -116.15 75.21 0.94 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.902 0.382 . . . . 0.0 111.095 -179.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 54.25 88.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.06 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 247' ' ' GLY . . . . . . . . . . . . . . . 55.65 39.37 75.38 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -150.82 90.76 1.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.491 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 249' ' ' GLN . . . . . 0.513 ' OE1' ' NH2' ' C' ' 242' ' ' ARG . 0.9 OUTLIER -74.47 96.16 2.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.965 179.667 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 250' ' ' LEU . . . . . 0.413 ' O ' ' OE1' ' C' ' 249' ' ' GLN . 9.4 mt -56.78 135.47 55.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.777 -179.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -91.34 161.27 15.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.334 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -24.06 51.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.756 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -100.09 41.21 2.22 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -139.63 176.99 8.26 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 42.3 p -119.62 159.83 23.65 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.872 0.368 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.55 -25.16 65.95 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.694 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 257' ' ' SER . . . . . 0.535 ' C ' ' H ' ' C' ' 259' ' ' TYR . 82.0 p -74.49 -30.6 61.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.768 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -71.5 15.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.693 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 259' ' ' TYR . . . . . 0.535 ' H ' ' C ' ' C' ' 257' ' ' SER . 69.4 m-85 -140.63 6.36 2.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.549 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 1.9 m120 60.53 26.84 16.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.645 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 84.9 mt -78.31 100.23 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.516 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -83.08 -157.28 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.65 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -82.53 161.86 22.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.671 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 51.29 29.06 4.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.583 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 34.5 m -88.97 135.66 33.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.61 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 4.3 m -80.43 150.71 29.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.496 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 7.5 mt -140.94 122.97 15.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.531 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 268' ' ' HIS . . . . . 0.772 ' HD1' ' H ' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -81.6 104.3 11.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.174 179.803 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 47.6 tp -87.66 133.63 33.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.959 0.409 . . . . 0.0 110.879 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 2.5 t -130.62 154.95 41.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.306 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 271' ' ' LEU . . . . . . . . . . . . . 6.2 mt -91.28 110.26 21.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.735 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -84.6 115.67 22.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.345 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 273' ' ' LEU . . . . . 0.671 ' CD1' HH12 ' D' ' 340' ' ' ARG . 0.3 OUTLIER -99.79 -175.76 3.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.45 -179.825 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 -153.14 114.26 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.453 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . -69.36 102.65 0.97 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 32.9 t . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.536 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 309' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' D' ' 310' ' ' THR . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 310' ' ' THR . . . . . 0.428 ' O ' ' O ' ' D' ' 309' ' ' GLY . 11.4 m 48.36 99.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.827 0.346 . . . . 0.0 110.575 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 311' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -149.76 93.03 1.98 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.449 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 312' ' ' LYS . . . . . 0.533 ' CD ' ' N ' ' D' ' 312' ' ' LYS . 9.9 mptt -91.15 -177.51 4.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.421 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 313' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' D' ' 313' ' ' TYR . 16.9 m-85 -91.3 134.4 34.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.491 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -78.79 92.77 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.566 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 13.5 mt -98.7 45.93 1.0 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.384 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 13.0 t -73.26 -20.54 60.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -156.55 101.74 2.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.84 0.352 . . . . 0.0 110.703 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -129.53 163.82 25.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.21 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -100.32 160.62 14.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.789 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 320' ' ' TYR . . . . . 0.473 ' C ' ' CD1' ' D' ' 320' ' ' TYR . 16.6 t80 -60.25 -50.03 75.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.588 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -63.62 -40.9 98.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -58.52 -50.75 72.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.67 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 14.7 mt -60.87 -55.63 30.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.39 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 324' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -57.14 -53.35 59.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.587 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 325' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' D' ' 329' ' ' THR . 28.7 t70 -52.51 -51.49 59.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.397 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 326' ' ' THR . . . . . 0.488 ' O ' ' N ' ' D' ' 330' ' ' SER . 56.5 m -54.06 -42.25 69.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.392 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 327' ' ' ILE . . . . . 0.571 ' CD1' ' NH2' ' D' ' 340' ' ' ARG . 86.4 mt -75.06 -23.06 17.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.502 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 328' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -100.34 0.49 40.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.665 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.485 ' N ' ' O ' ' D' ' 325' ' ' ASP . 73.2 p -132.76 -19.12 2.35 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.167 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 330' ' ' SER . . . . . 0.488 ' N ' ' O ' ' D' ' 326' ' ' THR . 1.5 t -106.04 172.79 6.61 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.124 0.488 . . . . 0.0 111.191 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 331' ' ' CYS . . . . . . . . . . . . . 4.9 m -144.7 28.84 1.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.518 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 332' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' D' ' 333' ' ' ILE . 11.7 m-20 -92.76 95.29 9.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.398 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . 0.541 ' CD1' ' HZ3' ' C' ' 206' ' ' LYS . 2.2 mt -38.52 -42.12 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.701 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -55.21 -57.11 13.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.122 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.19 -50.74 71.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.08 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 57.3 mt -50.51 -46.14 57.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.457 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -66.01 -49.45 67.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.439 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -58.53 -42.79 88.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.161 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 339' ' ' CYS . . . . . . . . . . . . . 90.9 m -61.1 -53.88 51.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.112 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 340' ' ' ARG . . . . . 0.671 HH12 ' CD1' ' C' ' 273' ' ' LEU . 0.0 OUTLIER -50.98 -41.39 59.43 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.402 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -59.65 -51.59 69.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.486 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 342' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -71.38 -33.5 69.58 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.709 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 343' ' ' PHE . . . . . 0.443 ' CD1' ' CD1' ' C' ' 273' ' ' LEU . 1.6 t80 -67.2 -43.7 81.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.572 -179.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -69.63 -50.53 43.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.349 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 50.8 mtp85 -53.77 -51.3 63.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.411 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 71.1 mtt-85 -50.09 -37.96 36.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.593 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 13.5 mt -71.93 -62.88 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.37 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -50.78 -56.49 11.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.489 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 349' ' ' VAL . . . . . . . . . . . . . 90.8 t -89.8 123.08 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.473 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 350' ' ' TYR . . . . . 0.452 ' CD1' ' N ' ' D' ' 350' ' ' TYR . 3.8 p90 -73.21 80.04 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.466 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 351' ' ' HIS . . . . . . . . . . . . . 1.1 t60 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.612 179.965 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.2 t -173.02 126.08 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.608 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -93.08 -165.87 1.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -96.84 -165.62 1.29 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.522 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -131.17 127.98 39.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.56 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -77.52 93.04 4.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.54 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.7 mt -90.39 42.59 1.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.614 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.0 t -87.55 -27.83 22.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.593 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -96.93 29.09 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.72 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -105.66 169.52 8.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.564 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -118.05 168.69 10.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.672 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -60.79 -47.2 87.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.539 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.14 -48.93 79.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.816 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -55.47 -57.89 10.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.63 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.1 mt -52.49 -59.53 4.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.607 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.525 ' NH1' ' O ' ' B' ' 173' ' ' LEU . 15.3 tpt180 -53.04 -42.87 66.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.569 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.438 ' O ' ' OG1' ' A' ' 29' ' ' THR . 11.0 m-20 -62.62 -48.18 80.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.423 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.513 ' O ' ' N ' ' A' ' 30' ' ' SER . 87.2 m -54.08 -46.66 72.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.6 mt -71.46 -30.42 39.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.715 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.679 HD22 HH12 ' B' ' 142' ' ' ARG . 0.9 OUTLIER -83.5 -23.75 32.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.294 -179.402 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 32.6 p -107.64 -43.6 4.46 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.76 0.314 . . . . 0.0 111.052 -179.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.8 OUTLIER -79.3 172.85 13.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.074 0.464 . . . . 0.0 111.166 -179.5 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.2 p -144.35 13.94 1.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.074 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 33' ' ' ILE . 11.4 m-20 -74.08 95.01 2.48 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.536 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 32' ' ' ASP . 2.4 mt -38.42 -41.44 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.78 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -56.42 -58.75 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.084 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.9 mt -59.04 -42.92 91.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.043 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.0 mt -50.57 -44.1 56.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.95 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.7 -48.63 68.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.064 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.88 -47.06 83.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.274 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.484 ' O ' ' OE2' ' A' ' 42' ' ' GLU . 90.8 m -62.79 -44.18 96.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.143 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.533 ' NH1' ' CD1' ' B' ' 171' ' ' LEU . 0.7 OUTLIER -63.26 -28.18 69.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.396 179.711 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -73.58 -61.42 1.84 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.217 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.496 ' CD ' ' N ' ' A' ' 43' ' ' PHE . 2.5 pp20? -51.97 -36.31 49.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.989 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.496 ' N ' ' CD ' ' A' ' 42' ' ' GLU . 0.9 OUTLIER -66.46 -52.86 41.82 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.238 179.645 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -60.35 -44.47 95.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.962 0.41 . . . . 0.0 110.153 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 86.8 mtt-85 -55.3 -56.43 20.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.281 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 71.8 mtt-85 -48.92 -39.0 24.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.563 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -79.86 -20.7 45.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.287 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -80.55 -32.24 36.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.49 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.3 p -103.69 144.43 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.494 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.521 ' CD2' ' O ' ' A' ' 50' ' ' TYR . 45.5 t80 59.78 30.08 19.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.512 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 18.0 t60 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.543 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.519 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -94.7 114.36 26.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.66 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 21.7 pt -102.26 152.24 5.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.622 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -104.38 128.77 52.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.651 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 99.3 t -116.1 114.41 46.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.358 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -84.95 128.02 34.44 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.567 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 24.2 p -76.77 -175.42 3.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.541 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.584 ' CD2' ' N ' ' B' ' 108' ' ' LEU . 3.0 mm? -74.3 -29.94 61.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.508 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 6.9 p -80.61 -42.61 21.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.485 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 139.57 6.7 1.12 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -80.47 119.08 22.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.777 0.322 . . . . 0.0 110.638 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 6.5 m -85.51 146.39 26.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.44 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 1.9 mt -132.35 125.47 53.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.592 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 9.8 m -89.76 112.74 24.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.192 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 15.6 mt -116.48 128.8 55.78 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.988 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -78.87 121.19 24.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.024 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . 0.519 ' O ' ' N ' ' B' ' 101' ' ' MET . 12.1 m -146.74 -177.01 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.997 0.427 . . . . 0.0 110.875 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.546 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 75.1 mt-10 -142.86 151.21 55.88 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.915 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.1 -27.8 4.78 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.61 2.207 . . . . 0.0 112.478 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.4 p -88.27 12.22 14.52 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.195 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . 0.546 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 8.1 m-20 -86.72 134.32 33.6 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.407 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' THR . . . . . 0.562 ' HG1' ' H ' ' B' ' 125' ' ' ASN . 13.1 p -83.9 135.0 34.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.957 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 27.0 mm -43.44 -49.03 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.259 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -51.35 -38.51 53.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.142 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.562 ' H ' ' HG1' ' B' ' 122' ' ' THR . 10.2 t-20 -63.89 -38.4 90.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.015 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 16.2 t -64.94 -45.54 94.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.045 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -56.54 -36.53 69.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.21 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.35 -46.4 76.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.324 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -56.05 -49.87 72.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.456 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' B' ' 133' ' ' LYS . 55.3 mt -58.48 -53.54 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.349 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . 0.431 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.9 OUTLIER -46.97 -31.54 3.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.266 179.791 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -75.8 -27.79 58.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.473 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' B' ' 130' ' ' ILE . 46.7 mmtt -80.57 -59.75 2.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.557 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -86.2 -99.72 0.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.525 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 178.75 9.46 0.02 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 39.6 mt -79.89 118.82 74.35 Favored Pre-proline 0 CA--C 1.533 0.322 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.49 151.28 76.28 Favored 'Trans proline' 0 N--CA 1.489 1.26 0 C-N-CA 121.566 1.511 . . . . 0.0 111.694 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.555 ' C ' ' H ' ' B' ' 140' ' ' GLN . 2.6 Cg_endo -48.36 -47.24 20.62 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 C-N-CA 122.59 2.194 . . . . 0.0 112.02 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.7 14.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.973 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.555 ' H ' ' C ' ' B' ' 138' ' ' PRO . 31.8 mt-30 -141.41 28.69 1.82 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.578 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.467 ' OE1' ' CG2' ' B' ' 130' ' ' ILE . 48.4 mt-30 -134.43 85.78 2.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.728 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . 0.679 HH12 HD22 ' A' ' 28' ' ' ASN . 2.8 ttm180 -89.99 115.57 27.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.087 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 15.2 mt -92.03 130.14 37.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.613 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.5 mt -129.07 143.17 42.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.429 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -141.12 92.19 2.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.697 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 66.8 79.83 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 39.13 44.2 2.03 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -149.75 112.26 4.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.367 . . . . 0.0 110.617 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -79.44 128.06 32.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.264 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 11.8 mt -81.5 115.48 20.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.694 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -55.88 158.64 3.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.566 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.43 -17.69 33.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.747 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -107.17 38.81 3.14 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 24.3 mmt-85 -139.56 172.39 12.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.642 0.258 . . . . 0.0 110.335 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 14.9 p -110.58 163.58 13.58 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 76.1 mt -59.55 -41.0 89.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.566 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 157' ' ' SER . . . . . 0.524 ' C ' ' H ' ' B' ' 159' ' ' TYR . 31.4 p -53.57 -32.83 52.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.834 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -71.79 16.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.704 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . 0.524 ' H ' ' C ' ' B' ' 157' ' ' SER . 72.4 m-85 -140.66 3.9 1.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.604 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . 0.528 ' O ' ' NE2' ' B' ' 162' ' ' GLN . 3.6 m120 60.68 27.5 17.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.714 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 86.6 mt -79.4 104.93 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.495 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . 0.528 ' NE2' ' O ' ' B' ' 160' ' ' ASN . 9.1 mp0 -82.45 -161.08 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.723 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 11.4 ptt-85 -82.72 161.71 22.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.746 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 52.76 21.41 1.91 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.54 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 37.3 m -80.12 139.24 36.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.659 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 8.5 m -85.7 146.67 26.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.421 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.1 mt -135.37 146.4 48.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 168' ' ' HIS . . . . . 0.644 ' N ' ' HD1' ' B' ' 168' ' ' HIS . 0.2 OUTLIER -100.52 107.46 19.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.396 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 37.0 tp -84.67 144.07 28.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.427 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.4 t -143.81 167.05 13.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.592 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . 0.533 ' CD1' ' NH1' ' A' ' 40' ' ' ARG . 15.9 mt -103.82 101.23 11.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.244 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -60.65 106.99 0.62 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.488 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . 0.525 ' O ' ' NH1' ' A' ' 24' ' ' ARG . 13.2 mt -82.38 159.1 23.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.553 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -60.42 130.7 47.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.535 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . -177.11 36.11 0.09 OUTLIER Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.646 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 201' ' ' MET . . . . . 0.441 ' SD ' ' C ' ' C' ' 218' ' ' GLU . 1.6 ptm . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -72.36 107.24 4.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.609 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 27.3 pt -104.27 144.33 14.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.421 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -97.99 129.96 44.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.549 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 92.8 t -113.89 110.51 32.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.233 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -82.58 149.23 27.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.729 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 207' ' ' THR . . . . . 0.401 ' O ' ' N ' ' C' ' 210' ' ' GLY . 42.0 p -127.17 163.96 22.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.357 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 208' ' ' LEU . . . . . 0.753 ' CD2' ' H ' ' C' ' 208' ' ' LEU . 0.4 OUTLIER -46.08 -57.81 4.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.503 -179.867 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 7.6 p -56.37 -4.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 210' ' ' GLY . . . . . 0.522 ' H ' ' C ' ' C' ' 208' ' ' LEU . . . 86.81 -4.42 86.3 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 211' ' ' LYS . . . . . 0.509 ' NZ ' ' OE2' ' C' ' 234' ' ' GLU . 76.8 tttt -63.63 128.42 35.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 110.491 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 32.0 m -105.42 140.93 37.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.502 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 4.7 mt -125.06 130.65 73.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.493 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 4.9 m -98.48 105.88 18.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.545 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 215' ' ' LEU . . . . . 0.59 ' CD2' ' N ' ' C' ' 215' ' ' LEU . 2.3 mm? -99.27 131.53 45.23 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.665 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -88.49 76.0 8.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.067 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 217' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' C' ' 201' ' ' MET . 9.0 m -100.35 -160.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.11 0.481 . . . . 0.0 111.102 -179.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 218' ' ' GLU . . . . . 0.518 ' N ' ' OD2' ' C' ' 221' ' ' ASP . 2.4 mt-10 -148.16 170.27 7.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.613 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 219' ' ' PRO . . . . . 0.416 ' N ' ' SD ' ' C' ' 201' ' ' MET . 3.4 Cg_exo -72.73 -13.01 26.94 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 C-N-CA 122.31 2.006 . . . . 0.0 112.375 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.1 p -103.17 7.62 38.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.328 . . . . 0.0 110.583 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 221' ' ' ASP . . . . . 0.518 ' OD2' ' N ' ' C' ' 218' ' ' GLU . 6.4 m-20 -83.18 139.12 33.34 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.527 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 222' ' ' THR . . . . . 0.426 ' OG1' ' OD1' ' C' ' 225' ' ' ASN . 12.8 p -85.15 139.31 31.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.882 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 37.1 mm -46.2 -39.92 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.474 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -57.36 -45.22 84.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.429 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 225' ' ' ASN . . . . . 0.426 ' OD1' ' OG1' ' C' ' 222' ' ' THR . 2.8 m120 -60.61 -40.03 90.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.098 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 22.9 t -61.65 -43.75 97.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.026 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 227' ' ' LYS . . . . . 0.441 ' O ' ' OE1' ' C' ' 241' ' ' GLN . 18.2 mttp -57.02 -40.87 77.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.072 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.52 97.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.305 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -61.17 -51.09 70.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.46 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 57.9 mt -57.54 -45.89 86.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.41 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 231' ' ' GLN . . . . . 0.459 ' N ' HE22 ' C' ' 241' ' ' GLN . 1.0 OUTLIER -56.75 -29.55 62.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.414 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -72.57 -39.99 66.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.337 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -70.65 -62.02 1.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.266 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 234' ' ' GLU . . . . . 0.509 ' OE2' ' NZ ' ' C' ' 211' ' ' LYS . 28.8 mm-40 -80.1 -103.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.51 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 178.73 3.08 0.02 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 236' ' ' ILE . . . . . 0.524 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 52.8 mt -74.27 123.6 89.3 Favored Pre-proline 0 C--N 1.329 -0.292 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -58.5 152.56 54.09 Favored 'Trans proline' 0 C--N 1.314 -1.26 0 C-N-CA 121.594 1.529 . . . . 0.0 111.522 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 238' ' ' PRO . . . . . 0.497 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.6 Cg_endo -48.57 -68.07 0.1 OUTLIER 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 122.458 2.105 . . . . 0.0 111.968 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 239' ' ' ASP . . . . . 0.449 ' N ' ' OD1' ' C' ' 239' ' ' ASP . 3.4 m-20 -42.5 -23.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 240' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' C' ' 238' ' ' PRO . 23.9 mt-30 -101.52 32.49 3.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.852 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 241' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 87.5 mt-30 -134.6 82.99 2.0 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.778 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 242' ' ' ARG . . . . . 0.658 ' HE ' ' NE2' ' C' ' 249' ' ' GLN . 27.5 ttt85 -89.92 120.17 30.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.23 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 16.0 mt -97.46 129.18 44.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.089 0.471 . . . . 0.0 111.063 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.5 mt -127.38 119.82 53.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.19 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 245' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -100.75 78.48 1.97 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.886 0.374 . . . . 0.0 110.966 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 54.23 79.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 247' ' ' GLY . . . . . 0.601 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 59.99 42.08 98.19 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -150.86 92.2 1.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.786 0.327 . . . . 0.0 110.641 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 249' ' ' GLN . . . . . 0.658 ' NE2' ' HE ' ' C' ' 242' ' ' ARG . 13.8 tt0 -68.97 118.26 11.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.107 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 12.2 mt -79.59 138.32 37.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.913 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -81.87 158.98 23.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.391 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.05 -4.92 59.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.726 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -117.67 35.49 4.07 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 17.7 mmm-85 -139.35 171.12 14.74 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 16.2 p -108.84 163.7 13.04 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.699 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.24 -33.43 74.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.806 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 257' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' C' ' 219' ' ' PRO . 5.4 p -61.59 -42.66 99.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.766 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.92 -41.28 45.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.625 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -85.12 1.12 49.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.72 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 260' ' ' ASN . . . . . 0.468 ' O ' ' ND2' ' C' ' 260' ' ' ASN . 4.8 t30 61.27 26.39 16.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 77.9 mt -69.69 109.3 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.292 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -79.24 -170.67 2.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -81.06 161.15 24.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.716 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 56.42 27.94 12.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.742 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 36.8 m -83.75 132.69 34.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.466 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 10.1 m -90.63 100.37 13.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.553 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 5.1 mt -85.88 164.96 17.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.462 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 268' ' ' HIS . . . . . 0.673 ' N ' ' HD1' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -114.85 101.1 8.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.042 179.74 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 42.2 tp -81.15 143.17 32.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.723 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 1.9 t -143.09 156.82 17.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.312 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 271' ' ' LEU . . . . . 0.449 ' CD1' ' N ' ' C' ' 271' ' ' LEU . 7.3 mp -98.62 98.74 9.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.372 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -52.24 101.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.507 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 273' ' ' LEU . . . . . . . . . . . . . 21.7 mt -75.38 143.76 42.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.527 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -175.98 174.11 2.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.553 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . 168.88 -24.61 0.11 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 21.0 t . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.56 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.562 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.22 99.08 2.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.819 0.343 . . . . 0.0 110.539 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 311' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -143.21 123.36 13.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.474 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 312' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -77.45 171.11 15.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.595 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 313' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' D' ' 313' ' ' TYR . 10.6 m-85 -91.52 124.43 35.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.522 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 314' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' D' ' 314' ' ' ASP . 1.8 m-20 -79.35 92.74 5.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.561 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 13.6 mt -107.55 46.19 0.96 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.282 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 7.4 t -64.83 -29.95 70.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.815 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 25.4 pttt -158.89 106.24 1.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.758 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -121.94 -175.07 3.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.064 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -123.07 163.5 20.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.654 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 320' ' ' TYR . . . . . 0.454 ' C ' ' CD1' ' D' ' 320' ' ' TYR . 10.8 t80 -63.3 -49.77 72.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.547 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -62.06 -35.93 80.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.697 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 322' ' ' GLU . . . . . 0.437 ' O ' ' OG1' ' D' ' 326' ' ' THR . 88.7 mt-10 -67.85 -55.21 13.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.675 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 15.2 mt -58.27 -57.41 13.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.594 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 324' ' ' ARG . . . . . 0.507 ' O ' ' ND2' ' D' ' 328' ' ' ASN . 7.9 tpt180 -53.11 -47.96 68.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.614 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 325' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' D' ' 329' ' ' THR . 5.3 t70 -60.1 -48.46 81.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.67 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 326' ' ' THR . . . . . 0.557 ' O ' ' N ' ' D' ' 330' ' ' SER . 12.2 m -52.56 -48.5 66.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.7 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 327' ' ' ILE . . . . . 0.421 HG21 HD12 ' D' ' 327' ' ' ILE . 90.6 mt -68.05 -31.86 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.677 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 328' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' D' ' 324' ' ' ARG . 1.5 m-80 -88.38 -12.65 42.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.161 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.538 ' N ' ' O ' ' D' ' 325' ' ' ASP . 59.1 p -115.96 -16.07 11.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.862 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 330' ' ' SER . . . . . 0.557 ' N ' ' O ' ' D' ' 326' ' ' THR . 3.3 t -111.04 -179.26 3.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.008 0.432 . . . . 0.0 110.889 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 331' ' ' CYS . . . . . 0.601 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 10.0 p -149.15 8.55 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.101 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 332' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' D' ' 333' ' ' ILE . 6.8 m-20 -70.06 93.84 0.83 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.426 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' D' ' 332' ' ' ASP . 2.3 mt -38.71 -41.38 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.686 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -55.71 -54.5 43.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.169 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 335' ' ' LEU . . . . . 0.446 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 9.2 mt -62.33 -38.31 88.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.135 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 90.1 mt -56.5 -44.05 80.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.199 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -68.45 -49.23 61.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.494 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.31 95.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.393 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 339' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 76.5 m -61.97 -53.4 56.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.254 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 16.4 mtp-105 -52.94 -39.07 62.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.24 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -62.2 -62.74 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.604 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 342' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -59.05 -34.65 72.17 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.545 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -59.64 -49.04 79.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.644 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 344' ' ' HIS . . . . . 0.419 ' O ' ' N ' ' D' ' 347' ' ' LEU . 71.1 m-70 -73.18 -53.53 10.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.532 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -45.88 -44.02 14.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.473 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -58.2 -27.95 64.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.451 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' D' ' 344' ' ' HIS . 12.6 mt -91.55 -47.39 7.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.509 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -63.06 -58.33 7.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.535 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 349' ' ' VAL . . . . . 0.529 ' C ' ' H ' ' D' ' 351' ' ' HIS . 63.9 t -67.46 122.65 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.581 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 350' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -72.22 37.61 0.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.561 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 351' ' ' HIS . . . . . 0.529 ' H ' ' C ' ' D' ' 349' ' ' VAL . 84.8 t60 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.558 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.722 0.296 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -78.82 92.92 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.545 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 mt -91.2 37.76 0.95 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.569 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.7 t -79.72 -32.59 41.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.601 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 pttm -81.37 1.16 34.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.63 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -81.96 176.62 9.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.536 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -122.77 168.01 12.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.441 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.409 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 32.4 t80 -62.34 -46.95 86.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.759 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.81 -46.71 89.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.758 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -57.66 -57.17 13.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.662 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.574 HD13 ' OE1' ' A' ' 42' ' ' GLU . 23.3 mt -52.15 -60.71 2.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.499 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.8 tpt85 -52.8 -53.35 49.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.065 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' A' ' 29' ' ' THR . 5.6 t70 -51.05 -51.93 48.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.976 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.554 ' O ' ' N ' ' A' ' 30' ' ' SER . 29.7 m -48.33 -50.49 30.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.49 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 84.7 mt -69.02 -21.1 25.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.628 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.521 ' ND2' HH21 ' B' ' 142' ' ' ARG . 2.7 m120 -104.79 3.49 31.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.433 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.541 ' N ' ' O ' ' A' ' 25' ' ' ASP . 36.8 p -145.49 -2.58 0.76 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.362 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.554 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.2 t -118.26 163.62 16.4 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.07 0.462 . . . . 0.0 111.042 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.408 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 19.9 p -139.06 88.47 2.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.29 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -159.71 97.98 1.34 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.497 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.2 mt -39.56 -38.57 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.761 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -60.62 -59.05 6.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.352 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.7 mt -59.87 -47.19 86.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.14 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.9 mt -50.55 -43.4 56.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.424 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.45 -49.16 67.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.279 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.35 -44.9 92.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.381 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.495 ' O ' ' OE2' ' A' ' 42' ' ' GLU . 97.8 m -63.02 -44.57 95.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.23 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -65.85 -27.08 67.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.43 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -70.99 -61.4 1.77 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.574 ' OE1' HD13 ' A' ' 23' ' ' LEU . 3.0 pp20? -55.27 -34.53 64.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.95 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.476 ' N ' ' CD ' ' A' ' 42' ' ' GLU . 5.8 t80 -63.83 -49.01 74.49 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.183 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 42.7 m170 -64.34 -41.73 96.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.314 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.522 ' O ' ' N ' ' A' ' 49' ' ' VAL . 97.7 mtt180 -55.3 -54.08 48.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.353 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 -45.94 -34.37 3.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.59 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.0 mt -80.22 -35.35 36.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.493 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.3 mttm -86.58 -9.58 55.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.688 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.542 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 73.2 t -98.49 124.62 51.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.703 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.542 ' CD2' ' O ' ' A' ' 49' ' ' VAL . 19.6 m-85 -162.73 99.22 1.0 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.322 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.463 ' OXT' ' ND1' ' A' ' 51' ' ' HIS . 48.5 t-80 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.556 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.538 ' N ' ' O ' ' B' ' 117' ' ' VAL . 34.8 ttp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -85.32 133.49 34.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.546 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 19.3 pt -133.53 148.55 30.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.611 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -101.87 144.56 30.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.745 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 39.8 t -127.67 107.53 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.248 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -80.77 132.68 35.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.7 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 107' ' ' THR . . . . . 0.445 HG23 ' O ' ' B' ' 111' ' ' LYS . 40.9 p -89.41 -170.02 2.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.209 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.656 HD22 ' N ' ' B' ' 108' ' ' LEU . 2.9 mm? -75.91 -55.31 5.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.528 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 109' ' ' THR . . . . . 0.472 ' H ' HG23 ' B' ' 109' ' ' THR . 7.1 p -56.38 -47.71 78.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.566 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 146.86 -1.85 0.83 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.445 ' O ' HG23 ' B' ' 107' ' ' THR . 50.9 tttp -74.85 124.97 27.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.84 0.353 . . . . 0.0 110.578 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 6.8 m -97.57 155.38 16.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.555 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 4.0 mt -134.2 129.37 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.593 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 14.0 m -92.87 117.34 29.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.406 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 24.9 mt -119.67 130.87 55.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.774 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -88.35 123.07 32.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.137 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 117' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' B' ' 101' ' ' MET . 15.5 m -147.81 -168.05 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.861 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.421 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 10.4 mm-40 -141.16 149.52 55.63 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.944 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.82 -20.45 1.1 Allowed 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.584 2.189 . . . . 0.0 112.631 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.3 p -94.93 11.92 30.12 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.228 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 121' ' ' ASP . . . . . 0.421 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 1.9 m-20 -84.12 135.78 34.26 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.347 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 122' ' ' THR . . . . . 0.499 ' O ' ' N ' ' B' ' 125' ' ' ASN . 6.9 p -84.74 132.64 34.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.782 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 28.0 mm -42.43 -31.58 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.057 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -66.85 -39.95 87.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.166 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 125' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' B' ' 122' ' ' THR . 16.9 m120 -64.74 -38.95 92.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.941 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 14.1 t -65.19 -51.92 59.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.959 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 127' ' ' LYS . . . . . 0.403 ' HZ2' ' HB3' ' B' ' 141' ' ' GLN . 54.2 mttm -49.91 -39.26 39.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.037 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.0 -45.75 87.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.254 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -55.7 -39.1 70.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.305 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 8.9 mt -68.8 -39.42 80.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.259 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -58.34 -31.55 67.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.252 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -77.48 -42.24 36.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.636 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -64.55 -63.2 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.594 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -86.11 -108.11 0.05 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.629 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -172.98 11.57 0.04 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.789 -0.925 . . . . 0.0 110.789 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.555 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 45.2 mt -86.06 115.78 63.22 Favored Pre-proline 0 C--N 1.329 -0.307 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -64.24 153.38 76.86 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 121.534 1.489 . . . . 0.0 111.621 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.526 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.6 Cg_endo -48.11 -67.77 0.1 Allowed 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.503 2.135 . . . . 0.0 111.942 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -40.31 -23.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.991 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' B' ' 138' ' ' PRO . 81.0 mt-30 -101.48 33.67 2.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.7 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 141' ' ' GLN . . . . . 0.555 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 81.4 mt-30 -134.61 164.44 27.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 142' ' ' ARG . . . . . 0.685 ' HE ' ' NE2' ' B' ' 149' ' ' GLN . 16.7 ttt85 -170.42 105.96 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.859 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 11.3 mt -89.37 141.9 28.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.7 mt -127.97 133.21 67.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.985 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 145' ' ' PHE . . . . . 0.498 ' O ' ' N ' ' B' ' 148' ' ' LYS . 45.8 t80 -140.84 156.62 46.09 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.581 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 40.78 27.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.646 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 147' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' B' ' 145' ' ' PHE . . . 70.53 38.23 68.8 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 148' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' B' ' 145' ' ' PHE . 76.4 mttt -147.21 133.69 19.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.755 0.312 . . . . 0.0 110.617 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 149' ' ' GLN . . . . . 0.685 ' NE2' ' HE ' ' B' ' 142' ' ' ARG . 8.5 tt0 -68.99 138.13 54.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.384 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 16.7 mt -95.24 137.13 34.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.893 0.377 . . . . 0.0 110.662 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -84.19 163.02 19.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.636 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.7 -35.88 33.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.835 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -88.68 40.35 3.08 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.384 -0.687 . . . . 0.0 111.384 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -139.65 170.53 15.73 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 29.4 p -113.67 167.91 10.22 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.897 0.379 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 156' ' ' LEU . . . . . 0.432 ' CD1' HG21 ' B' ' 117' ' ' VAL . 84.5 mt -62.54 -39.53 93.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.68 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 157' ' ' SER . . . . . 0.459 ' C ' ' H ' ' B' ' 159' ' ' TYR . 10.4 t -63.75 -30.46 71.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -69.41 10.68 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.783 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 159' ' ' TYR . . . . . 0.459 ' H ' ' C ' ' B' ' 157' ' ' SER . 48.2 m-85 -140.72 13.05 2.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.508 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 160' ' ' ASN . . . . . 0.421 ' O ' ' OD1' ' B' ' 160' ' ' ASN . 53.4 t-20 59.2 23.44 11.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.648 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 93.0 mt -76.12 94.86 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.445 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -80.02 -156.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.688 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -80.96 159.79 24.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.741 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 54.88 36.08 25.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.701 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 26.4 m -88.24 137.67 32.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.532 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 4.9 m -92.89 107.7 19.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.581 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 11.2 mt -99.74 123.73 44.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.662 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 168' ' ' HIS . . . . . 0.691 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -81.49 111.32 17.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.035 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 27.5 tp -89.83 122.7 33.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.705 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.1 t -122.78 139.03 50.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.264 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.652 ' N ' HD12 ' B' ' 171' ' ' LEU . 8.0 mp -81.03 101.94 9.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.555 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -57.73 103.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.484 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 173' ' ' LEU . . . . . 0.459 HD13 ' CG ' ' A' ' 43' ' ' PHE . 21.6 mt -70.12 113.92 7.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.579 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -85.17 131.44 34.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.487 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 179.7 -79.82 0.06 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.692 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 201' ' ' MET . . . . . 0.541 ' N ' ' O ' ' C' ' 217' ' ' VAL . 31.5 ttp . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 202' ' ' GLN . . . . . 0.412 ' N ' ' CG ' ' C' ' 201' ' ' MET . 61.7 mt-30 -126.77 113.1 16.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.265 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 25.9 pt -110.46 148.89 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.969 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 204' ' ' PHE . . . . . 0.447 ' HD1' ' HG1' ' C' ' 214' ' ' THR . 57.5 m-85 -103.25 157.1 17.24 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.388 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 23.2 t -136.5 105.1 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.228 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -81.35 129.78 34.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.639 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 207' ' ' THR . . . . . 0.434 HG23 ' O ' ' C' ' 211' ' ' LYS . 36.8 p -87.79 -171.6 3.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.381 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 208' ' ' LEU . . . . . 0.628 ' N ' HD22 ' C' ' 208' ' ' LEU . 3.2 mm? -71.03 -59.35 2.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.544 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 17.3 p -56.39 -46.49 80.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.542 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 149.95 -13.07 0.98 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 211' ' ' LYS . . . . . 0.434 ' O ' HG23 ' C' ' 207' ' ' THR . 82.7 tttt -57.58 118.31 5.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.81 0.338 . . . . 0.0 110.595 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 18.1 m -97.63 154.39 17.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.504 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 1.5 mt -135.7 126.57 43.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.617 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 214' ' ' THR . . . . . 0.447 ' HG1' ' HD1' ' C' ' 204' ' ' PHE . 17.9 m -98.51 128.31 44.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.439 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 36.4 mt -131.42 136.44 48.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.874 0.369 . . . . 0.0 110.781 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -86.3 123.9 32.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.184 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 217' ' ' VAL . . . . . 0.541 ' O ' ' N ' ' C' ' 201' ' ' MET . 16.1 m -147.74 -174.55 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.928 0.394 . . . . 0.0 110.968 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 218' ' ' GLU . . . . . 0.464 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 48.1 mt-10 -133.6 151.87 77.99 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.9 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.37 -26.68 4.21 Favored 'Trans proline' 0 C--N 1.31 -1.492 0 C-N-CA 122.608 2.205 . . . . 0.0 112.577 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 2.8 p -79.91 -28.81 39.76 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.139 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 221' ' ' ASP . . . . . 0.464 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 1.2 m-20 -42.69 135.61 2.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.915 0.388 . . . . 0.0 110.65 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 222' ' ' THR . . . . . 0.438 ' O ' ' N ' ' C' ' 225' ' ' ASN . 19.3 p -89.51 139.17 30.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.538 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 19.4 mm -43.77 -47.32 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.524 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -55.68 -33.49 64.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.402 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 225' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' C' ' 222' ' ' THR . 10.6 t-20 -67.87 -42.08 81.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.218 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 22.0 t -63.85 -47.31 91.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.24 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -55.75 -38.73 70.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.111 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.39 98.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.184 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -60.18 -46.62 89.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.339 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 61.2 mt -59.96 -40.14 82.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.27 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -61.35 -30.91 70.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.219 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -78.36 -17.63 56.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.48 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -89.94 -61.8 1.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.594 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -85.38 -107.0 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.576 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -175.98 18.04 0.04 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 236' ' ' ILE . . . . . 0.507 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 23.9 mt -89.53 114.39 60.31 Favored Pre-proline 0 C--N 1.33 -0.263 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.14 150.03 81.55 Favored 'Trans proline' 0 N--CA 1.488 1.197 0 C-N-CA 121.46 1.44 . . . . 0.0 111.487 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -47.63 -56.74 2.82 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.337 2.025 . . . . 0.0 111.854 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 239' ' ' ASP . . . . . 0.486 ' O ' ' NE ' ' C' ' 272' ' ' ARG . 2.6 p-10 -50.14 -21.44 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.54 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -106.54 33.89 3.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.634 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 241' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 79.6 mt-30 -134.37 150.25 50.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.604 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 242' ' ' ARG . . . . . 0.652 ' NH2' ' ND2' ' D' ' 328' ' ' ASN . 41.7 ttt85 -155.63 115.79 3.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.166 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 243' ' ' LEU . . . . . 0.502 ' N ' ' CD1' ' C' ' 243' ' ' LEU . 6.6 mp -93.71 126.48 38.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.801 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.4 mt -128.33 117.59 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 245' ' ' PHE . . . . . 0.53 ' CE2' ' OD2' ' A' ' 25' ' ' ASP . 44.9 t80 -105.71 77.41 1.26 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.896 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 62.21 89.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.808 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 247' ' ' GLY . . . . . 0.58 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 45.92 43.01 12.12 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -150.81 97.66 2.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 110.697 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.62 118.23 19.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.096 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 10.7 mt -77.51 137.47 38.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 111.044 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -80.8 160.37 24.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.4 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.62 -7.04 59.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.867 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -117.52 40.95 2.19 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -137.23 175.41 9.64 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 255' ' ' THR . . . . . 0.489 ' C ' ' H ' ' C' ' 257' ' ' SER . 21.9 p -119.36 157.2 28.64 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.542 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 256' ' ' LEU . . . . . 0.411 ' CD1' HG21 ' C' ' 217' ' ' VAL . 94.1 mt -57.87 -3.63 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.606 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 257' ' ' SER . . . . . 0.489 ' H ' ' C ' ' C' ' 255' ' ' THR . 76.9 p -96.4 -20.58 18.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.623 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.8 10.82 4.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.705 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -140.59 8.9 2.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.61 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 61.33 14.35 5.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 74.0 mt -61.74 94.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.366 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 262' ' ' GLN . . . . . 0.418 ' C ' ' SD ' ' C' ' 201' ' ' MET . 2.5 tt0 -76.95 -156.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.697 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -83.71 156.9 22.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.932 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 59.57 33.8 22.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.963 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 39.9 m -89.19 126.84 35.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.534 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 9.6 m -85.67 110.73 19.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.562 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 11.9 mt -99.45 120.46 39.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.706 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 268' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -76.82 113.47 14.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.343 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 30.1 tp -90.09 124.08 34.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.61 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 270' ' ' VAL . . . . . 0.426 ' CG2' HD13 ' D' ' 336' ' ' LEU . 2.2 t -124.78 139.45 50.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.179 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 271' ' ' LEU . . . . . 0.633 ' N ' HD12 ' C' ' 271' ' ' LEU . 8.3 mp -74.71 103.58 5.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.657 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 272' ' ' ARG . . . . . 0.486 ' NE ' ' O ' ' C' ' 239' ' ' ASP . 53.2 ttp85 -61.1 105.43 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.483 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 273' ' ' LEU . . . . . . . . . . . . . 23.2 mt -71.75 171.61 11.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.624 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.588 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.75 0.309 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -84.73 92.84 8.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.512 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 15.2 mt -95.09 33.65 1.5 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.543 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 56.2 m -91.19 18.53 6.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.657 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -144.37 26.52 1.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.587 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -96.23 171.24 8.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.397 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 319' ' ' LYS . . . . . 0.418 ' H ' ' HB2' ' D' ' 322' ' ' GLU . 27.6 mmtp -121.58 165.83 15.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.497 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -54.22 -49.02 70.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.554 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 321' ' ' ALA . . . . . 0.41 ' O ' ' CB ' ' D' ' 325' ' ' ASP . . . -63.11 -41.35 99.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 322' ' ' GLU . . . . . 0.418 ' HB2' ' H ' ' D' ' 319' ' ' LYS . 64.0 mm-40 -56.56 -59.43 5.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.748 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 323' ' ' LEU . . . . . 0.53 HD21 ' CD ' ' D' ' 342' ' ' GLU . 15.3 mt -58.19 -57.82 11.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.643 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 324' ' ' ARG . . . . . . . . . . . . . 10.5 tpt85 -53.99 -53.28 55.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.064 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 325' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' D' ' 329' ' ' THR . 36.5 t70 -63.32 -44.75 94.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.968 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 326' ' ' THR . . . . . 0.457 ' O ' ' CB ' ' D' ' 330' ' ' SER . 65.6 m -59.12 -39.29 81.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.606 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 327' ' ' ILE . . . . . 0.552 HG23 HD22 ' D' ' 336' ' ' LEU . 78.7 mt -73.31 -32.97 39.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.176 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 328' ' ' ASN . . . . . 0.652 ' ND2' ' NH2' ' C' ' 242' ' ' ARG . 2.4 m120 -85.33 -21.73 28.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.975 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.492 ' N ' ' O ' ' D' ' 325' ' ' ASP . 57.9 p -102.28 -36.56 8.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.926 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 330' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' D' ' 326' ' ' THR . 1.2 t -92.04 179.55 5.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.971 0.415 . . . . 0.0 111.039 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 331' ' ' CYS . . . . . 0.58 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 11.3 p -147.24 9.56 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.213 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 332' ' ' ASP . . . . . 0.43 ' CB ' HD12 ' D' ' 335' ' ' LEU . 0.7 OUTLIER -66.35 93.85 0.24 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.432 -179.672 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 1.6 mt -38.52 -46.51 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.953 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -53.28 -57.34 10.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.114 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 335' ' ' LEU . . . . . 0.508 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 9.5 mt -57.72 -46.22 84.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.018 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 336' ' ' LEU . . . . . 0.552 HD22 HG23 ' D' ' 327' ' ' ILE . 93.3 mt -51.51 -43.07 62.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.51 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -67.22 -49.08 65.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.707 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -68.13 -32.85 73.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.984 0.421 . . . . 0.0 110.714 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 339' ' ' CYS . . . . . 0.508 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 84.3 m -68.29 -43.37 77.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.19 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 340' ' ' ARG . . . . . 0.4 ' CZ ' ' CB ' ' D' ' 340' ' ' ARG . 10.1 mtp-105 -69.55 -40.45 76.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.942 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 341' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' D' ' 342' ' ' GLU . 5.1 pt-20 -63.84 -43.93 94.69 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.632 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 342' ' ' GLU . . . . . 0.53 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.8 pt-20 -69.86 -37.88 76.24 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.182 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -59.53 -45.56 91.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.884 0.373 . . . . 0.0 110.277 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -66.97 -53.46 31.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.466 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -45.84 -54.84 7.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.235 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.443 179.896 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.833 0.349 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.3 p30 -79.31 93.63 5.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.454 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.8 mt -91.31 43.7 1.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.8 t -86.24 -5.34 59.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.794 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.9 mttp -147.59 78.19 1.45 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.776 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -128.77 163.21 25.66 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.355 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -107.35 164.34 12.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.536 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -63.08 -49.29 75.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.411 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.05 -38.87 84.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.635 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -63.11 -56.72 14.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.743 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.513 HD21 ' CD ' ' A' ' 42' ' ' GLU . 15.1 mt -54.37 -58.33 7.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.617 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.425 ' NE ' ' O ' ' B' ' 173' ' ' LEU . 5.9 tpt180 -53.01 -52.28 58.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.519 ' OD1' ' CE2' ' C' ' 245' ' ' PHE . 36.8 t0 -53.02 -51.57 61.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.332 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 30' ' ' SER . 6.5 m -50.96 -47.91 61.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.863 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.9 mt -74.36 -18.31 16.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.828 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -99.63 -4.13 31.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.17 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 20.6 p -135.45 -40.74 0.72 Allowed 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.074 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.524 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.9 OUTLIER -71.98 168.42 18.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.968 0.413 . . . . 0.0 111.095 -179.358 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.7 p -146.78 88.01 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.319 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -162.42 99.7 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.604 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.409 HG13 ' H ' ' A' ' 33' ' ' ILE . 5.4 mt -39.87 -36.69 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.633 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -62.1 -58.94 5.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.261 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.0 mt -60.62 -48.29 82.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.046 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.0 mt -53.87 -46.78 71.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.512 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.78 -49.09 79.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.432 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.12 -53.17 59.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.493 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 78.9 m -51.75 -43.65 63.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.371 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.8 mtp85 -65.91 -38.27 88.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.522 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -62.32 -46.05 90.45 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.945 -179.261 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.522 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 3.7 pt-20 -71.08 -35.34 71.82 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.475 ' CG ' HD13 ' B' ' 173' ' ' LEU . 2.9 t80 -61.43 -42.34 98.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.899 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -68.61 -53.82 20.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.282 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 84.0 mtt-85 -46.42 -53.48 10.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.94 0.4 . . . . 0.0 110.247 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -47.31 -40.57 17.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.51 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.6 mt -72.75 -49.19 32.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.552 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -48.83 -51.68 28.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.595 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.9 m -75.1 -171.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.585 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -77.28 64.56 2.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.625 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 78.7 m80 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.653 -179.91 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.543 ' N ' ' O ' ' B' ' 117' ' ' VAL . 30.3 ttp . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 102' ' ' GLN . . . . . 0.522 ' OE1' ' N ' ' B' ' 103' ' ' ILE . 0.9 OUTLIER -91.4 130.41 37.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.491 179.852 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.522 ' N ' ' OE1' ' B' ' 102' ' ' GLN . 24.6 pt -134.75 146.3 30.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.79 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -100.62 136.4 40.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.735 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 85.4 t -122.82 105.09 15.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.279 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -91.22 135.33 33.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.678 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 31.3 p -90.78 -163.35 1.01 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.408 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.955 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.4 OUTLIER -86.31 -26.48 24.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.505 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 4.5 p -76.78 -46.13 26.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.562 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 142.21 3.5 1.04 Allowed Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -75.71 129.41 37.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.734 0.302 . . . . 0.0 110.659 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 64.6 m -112.15 111.67 22.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.543 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.401 HD13 HG21 ' B' ' 113' ' ' ILE . 7.9 mt -97.45 133.52 38.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.56 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 114' ' ' THR . . . . . 0.482 ' C ' HD22 ' B' ' 115' ' ' LEU . 34.5 m -99.7 105.55 17.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.397 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.836 HD22 ' N ' ' B' ' 115' ' ' LEU . 1.9 mm? -101.65 133.21 46.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.762 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -96.22 95.17 7.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.85 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 117' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' B' ' 101' ' ' MET . 19.3 m -119.54 -162.37 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.012 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.548 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 17.4 mt-10 -147.78 152.87 41.9 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.841 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -46.04 -43.6 20.04 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.773 2.315 . . . . 0.0 112.759 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.76 15.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.463 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 121' ' ' ASP . . . . . 0.548 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 2.9 m-20 -91.59 136.07 33.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.363 . . . . 0.0 110.404 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 3.6 p -82.34 140.41 33.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.045 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 34.3 mm -46.53 -47.25 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.235 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -52.79 -37.02 59.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.201 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -65.0 -41.94 94.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.988 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 17.6 t -62.16 -39.81 85.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.963 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -61.09 -36.92 80.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.204 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.71 -42.06 91.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.182 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -61.37 -51.61 68.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.372 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 69.1 mt -56.35 -46.08 81.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.399 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 131' ' ' GLN . . . . . 0.572 ' NE2' ' O ' ' B' ' 131' ' ' GLN . 1.5 tm0? -55.53 -31.87 62.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.12 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -70.11 -37.97 75.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.353 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -72.65 -63.68 1.11 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.22 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -79.93 -117.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.633 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -165.26 9.91 0.07 OUTLIER Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.439 ' O ' ' OE1' ' B' ' 141' ' ' GLN . 25.7 mt -79.75 116.31 60.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.91 152.12 76.88 Favored 'Trans proline' 0 C--N 1.314 -1.282 0 C-N-CA 121.497 1.465 . . . . 0.0 111.454 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -47.28 -67.97 0.1 Allowed 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.444 2.096 . . . . 0.0 112.004 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -43.49 -22.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' B' ' 138' ' ' PRO . 77.7 mt-30 -102.63 35.61 2.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.814 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 141' ' ' GLN . . . . . 0.439 ' OE1' ' O ' ' B' ' 136' ' ' ILE . 33.7 mt-30 -134.62 165.92 24.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.9 0.381 . . . . 0.0 110.811 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 142' ' ' ARG . . . . . 0.689 HH21 ' NE ' ' B' ' 172' ' ' ARG . 23.1 ttm180 -170.32 132.16 1.0 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.093 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 14.8 mt -112.77 135.27 53.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.061 0.458 . . . . 0.0 111.063 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.7 mt -125.09 128.91 73.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.095 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -146.6 153.62 40.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.555 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 54.56 26.49 7.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 67.9 30.88 74.57 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -147.9 140.48 24.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.746 0.308 . . . . 0.0 110.47 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 149' ' ' GLN . . . . . 0.572 ' NE2' ' CZ ' ' B' ' 142' ' ' ARG . 31.0 tt0 -73.85 139.24 44.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.516 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 17.5 mt -91.3 139.23 30.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.678 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -78.92 158.29 28.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.575 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.09 3.72 45.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.703 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -122.9 23.81 6.88 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -125.4 172.54 9.55 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 30.4 p -113.83 157.63 22.06 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.893 0.378 . . . . 0.0 110.521 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 156' ' ' LEU . . . . . 0.497 ' CD1' HG21 ' B' ' 117' ' ' VAL . 64.0 mt -57.24 -22.23 39.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.513 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 7.8 t -79.16 -20.63 47.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.589 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -82.08 12.09 4.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.603 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -140.74 9.75 2.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.545 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 160' ' ' ASN . . . . . 0.54 ' ND2' ' O ' ' B' ' 160' ' ' ASN . 1.4 t30 62.78 16.29 8.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 97.2 mt -68.4 92.24 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.809 0.338 . . . . 0.0 110.354 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -78.63 -157.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.749 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 163' ' ' ARG . . . . . 0.426 ' NH1' ' CG ' ' B' ' 163' ' ' ARG . 14.2 ptt-85 -80.38 161.2 25.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.688 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 57.57 34.33 24.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.753 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 8.6 m -89.45 129.33 35.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.463 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 15.2 m -94.18 99.99 12.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.638 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 2.0 mp -91.77 152.12 20.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.59 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 168' ' ' HIS . . . . . 0.68 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -100.59 117.16 34.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.081 179.715 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 40.0 tp -92.06 130.92 37.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.429 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.0 t -135.88 139.57 45.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.337 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.682 ' N ' HD12 ' B' ' 171' ' ' LEU . 7.8 mp -81.08 110.25 16.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.543 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 172' ' ' ARG . . . . . 0.689 ' NE ' HH21 ' B' ' 142' ' ' ARG . 16.9 ttm180 -66.02 104.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.547 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 173' ' ' LEU . . . . . 0.475 HD13 ' CG ' ' A' ' 43' ' ' PHE . 25.4 mt -76.61 102.47 6.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.489 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 16.7 ttp85 -77.63 156.61 30.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 160.05 121.79 0.61 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.682 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 201' ' ' MET . . . . . 0.521 ' N ' ' O ' ' C' ' 217' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -88.58 113.85 24.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.758 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 15.5 pt -107.39 147.74 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.584 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -100.82 145.43 28.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.451 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 91.1 t -129.18 109.12 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.315 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -83.96 138.04 33.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.75 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 18.4 p -101.81 -150.45 0.4 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.346 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 208' ' ' LEU . . . . . 0.943 HD22 ' H ' ' C' ' 208' ' ' LEU . 0.4 OUTLIER -88.8 -44.48 10.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.518 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 209' ' ' THR . . . . . 0.489 ' C ' ' H ' ' C' ' 211' ' ' LYS . 7.5 p -74.39 23.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.599 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 210' ' ' GLY . . . . . 0.488 ' H ' ' C ' ' C' ' 208' ' ' LEU . . . 72.75 -18.23 1.42 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 211' ' ' LYS . . . . . 0.489 ' H ' ' C ' ' C' ' 209' ' ' THR . 78.6 tttt -46.14 159.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.725 0.298 . . . . 0.0 110.559 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 6.6 m -139.49 146.04 39.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.589 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 213' ' ' ILE . . . . . 0.41 HD13 HG21 ' C' ' 213' ' ' ILE . 4.6 mt -128.41 129.67 69.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.73 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 17.4 m -100.67 116.89 33.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.206 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 29.9 mt -124.72 137.38 54.35 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.911 0.386 . . . . 0.0 110.915 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -82.06 126.59 32.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.11 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 217' ' ' VAL . . . . . 0.521 ' O ' ' N ' ' C' ' 201' ' ' MET . 12.9 m -147.05 -174.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.949 0.404 . . . . 0.0 111.002 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 218' ' ' GLU . . . . . 0.589 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 2.9 mt-10 -140.54 149.91 58.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.694 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.9 -43.72 15.05 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.333 2.022 . . . . 0.0 112.293 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.4 p -62.66 -34.44 77.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.093 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 221' ' ' ASP . . . . . 0.589 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 5.9 m-20 -41.65 135.31 2.22 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 110.817 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 41.4 p -86.35 149.13 25.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.804 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 29.8 mm -54.47 -43.95 65.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.321 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 224' ' ' GLU . . . . . 0.42 ' CD ' ' N ' ' C' ' 225' ' ' ASN . 2.4 pp20? -57.2 -39.24 75.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.331 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 225' ' ' ASN . . . . . 0.52 ' OD1' ' NZ ' ' C' ' 229' ' ' LYS . 46.4 t-20 -63.37 -38.37 90.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.086 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 55.4 t -65.04 -55.1 22.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.173 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 227' ' ' LYS . . . . . 0.511 ' NZ ' ' O ' ' C' ' 241' ' ' GLN . 43.5 mttm -48.16 -39.51 21.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.164 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.79 89.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.25 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 229' ' ' LYS . . . . . 0.52 ' NZ ' ' OD1' ' C' ' 225' ' ' ASN . 38.3 mttp -56.2 -39.81 73.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.351 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 6.6 mt -67.44 -37.98 79.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.296 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -62.16 -27.13 68.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.361 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.58 -26.93 29.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.789 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 26.5 mmtm -82.39 -62.82 1.51 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.756 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -85.07 -104.64 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.806 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -175.79 19.55 0.05 OUTLIER Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 236' ' ' ILE . . . . . 0.517 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 17.6 mt -95.18 111.36 54.63 Favored Pre-proline 0 C--N 1.33 -0.266 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -63.74 153.4 75.61 Favored 'Trans proline' 0 C--N 1.314 -1.277 0 C-N-CA 121.604 1.536 . . . . 0.0 111.777 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 238' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.8 Cg_endo -46.76 -60.4 0.89 Allowed 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.673 2.248 . . . . 0.0 111.871 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -45.56 -23.04 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.612 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 240' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' C' ' 238' ' ' PRO . 18.2 mm-40 -109.56 36.02 3.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.473 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 241' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 55.3 mt-30 -134.42 147.53 50.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.31 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 242' ' ' ARG . . . . . 0.648 ' NH2' HE22 ' C' ' 249' ' ' GLN . 1.1 ttt-85 -154.9 105.84 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.127 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 19.6 mt -86.53 128.34 34.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.615 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.6 mt -127.95 133.13 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.619 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 245' ' ' PHE . . . . . 0.519 ' CE2' ' OD1' ' A' ' 25' ' ' ASP . 65.9 t80 -125.35 90.13 3.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.664 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 246' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' C' ' 245' ' ' PHE . . . 64.42 53.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.804 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 247' ' ' GLY . . . . . 0.512 ' H ' ' HB3' ' D' ' 331' ' ' CYS . . . 77.25 -15.41 6.94 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -81.89 94.28 7.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.349 . . . . 0.0 110.597 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 249' ' ' GLN . . . . . 0.648 HE22 ' NH2' ' C' ' 242' ' ' ARG . 26.8 tt0 -71.66 124.34 24.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.129 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 9.0 mt -83.66 133.77 34.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 110.843 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 251' ' ' GLU . . . . . 0.471 ' CD ' ' N ' ' C' ' 251' ' ' GLU . 1.2 mp0 -86.85 161.43 18.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.44 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.66 -28.15 60.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.865 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -94.92 41.97 2.45 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 36.5 mmt-85 -139.69 177.96 7.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.73 0.3 . . . . 0.0 110.498 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 40.8 p -123.72 164.85 18.3 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.619 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 97.6 mt -65.85 -12.76 56.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.683 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 257' ' ' SER . . . . . 0.489 ' C ' ' H ' ' C' ' 259' ' ' TYR . 9.4 t -85.77 -31.26 22.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.648 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.8 17.21 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.619 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 259' ' ' TYR . . . . . 0.489 ' H ' ' C ' ' C' ' 257' ' ' SER . 65.6 m-85 -140.62 1.77 1.75 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.599 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 2.4 m120 64.13 20.01 12.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 87.5 mt -68.67 102.96 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.442 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -80.79 -156.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.81 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 263' ' ' LYS . . . . . 0.443 ' HD3' ' H ' ' C' ' 263' ' ' LYS . 0.0 OUTLIER -85.41 159.78 19.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.735 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 53.06 32.16 12.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.706 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 53.9 m -81.8 128.75 34.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.513 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 85.5 m -88.81 104.91 17.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.549 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 8.2 mt -91.76 167.25 12.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.586 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 268' ' ' HIS . . . . . 0.627 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -121.97 98.31 5.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.021 179.778 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 63.2 tp -78.47 148.57 33.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.781 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 270' ' ' VAL . . . . . 0.485 HG22 HD13 ' D' ' 336' ' ' LEU . 2.1 t -145.29 165.61 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.249 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 271' ' ' LEU . . . . . 0.534 ' N ' HD12 ' C' ' 271' ' ' LEU . 7.5 mp -101.45 84.55 2.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.387 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -45.64 90.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.499 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 273' ' ' LEU . . . . . 0.525 ' O ' ' NH2' ' D' ' 324' ' ' ARG . 26.5 mt -56.8 165.29 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.447 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.481 179.958 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.817 0.342 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.01 92.84 6.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.481 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 315' ' ' LEU . . . . . 0.401 HD12 ' OE1' ' D' ' 342' ' ' GLU . 13.8 mt -96.39 36.62 1.33 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.585 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 31.6 p -84.73 18.47 2.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.607 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -146.65 40.9 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.65 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -109.86 176.72 4.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.454 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 319' ' ' LYS . . . . . 0.508 ' N ' ' OE1' ' D' ' 322' ' ' GLU . 35.0 mttp -125.39 169.86 11.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.614 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -61.6 -46.63 89.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.524 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 321' ' ' ALA . . . . . 0.404 ' O ' ' CB ' ' D' ' 325' ' ' ASP . . . -60.4 -50.36 73.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.687 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 322' ' ' GLU . . . . . 0.508 ' OE1' ' N ' ' D' ' 319' ' ' LYS . 66.3 mt-10 -54.93 -56.9 14.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.827 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 323' ' ' LEU . . . . . 0.554 HD21 ' CD ' ' D' ' 342' ' ' GLU . 14.2 mt -58.91 -59.74 4.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.661 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 324' ' ' ARG . . . . . 0.525 ' NH2' ' O ' ' C' ' 273' ' ' LEU . 6.9 tpt180 -52.95 -41.28 64.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.685 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 325' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' D' ' 329' ' ' THR . 10.1 t70 -68.53 -45.87 71.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.745 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 326' ' ' THR . . . . . 0.548 ' O ' ' N ' ' D' ' 330' ' ' SER . 29.6 m -57.53 -46.27 84.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.567 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 327' ' ' ILE . . . . . 0.44 HG23 HD22 ' D' ' 336' ' ' LEU . 96.5 mt -72.1 -31.15 38.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.606 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 328' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -84.31 -22.92 30.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.026 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.517 ' N ' ' O ' ' D' ' 325' ' ' ASP . 61.8 p -108.8 -49.15 3.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.923 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 330' ' ' SER . . . . . 0.548 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.4 OUTLIER -74.36 178.55 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.002 0.429 . . . . 0.0 110.859 -179.563 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 331' ' ' CYS . . . . . 0.512 ' HB3' ' H ' ' C' ' 247' ' ' GLY . 3.0 p -146.46 9.43 1.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.12 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -66.13 91.61 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.485 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 333' ' ' ILE . . . . . 0.683 ' HA ' HD12 ' D' ' 336' ' ' LEU . 2.2 mt -38.31 -40.8 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.856 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -56.46 -54.73 42.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.236 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 335' ' ' LEU . . . . . 0.497 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 10.1 mt -62.86 -36.56 83.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.301 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 336' ' ' LEU . . . . . 0.683 HD12 ' HA ' ' D' ' 333' ' ' ILE . 93.2 mt -57.01 -43.74 82.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.115 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -69.53 -49.05 58.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.671 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.77 -40.08 94.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.469 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 339' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 85.3 m -64.82 -42.23 95.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.079 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 -66.27 -44.14 84.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.157 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 341' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' D' ' 342' ' ' GLU . 4.2 pt-20 -62.35 -45.07 94.83 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.861 -179.135 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 342' ' ' GLU . . . . . 0.554 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.2 pt-20 -67.9 -35.96 79.37 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.14 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -60.75 -43.61 97.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.965 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -66.18 -53.09 41.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.197 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -46.34 -54.65 8.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.362 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.581 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 16.7 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.709 0.29 . . . . 0.0 110.598 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.75 92.97 6.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.562 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.5 mt -94.99 44.9 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.383 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.6 t -80.37 15.88 1.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -172.36 84.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.658 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.6 m95 -133.96 161.75 33.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.318 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -105.37 165.57 11.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.758 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -66.29 -48.49 70.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.621 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.63 -36.3 82.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.804 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.54 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 3.6 mp0 -67.58 -49.12 64.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.573 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.542 HD21 ' CD ' ' A' ' 42' ' ' GLU . 15.3 mt -58.75 -58.99 6.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.286 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.656 HH21 ' NH1' ' B' ' 142' ' ' ARG . 5.5 tpt180 -53.12 -53.14 54.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.449 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.46 ' OD1' ' CZ ' ' C' ' 245' ' ' PHE . 60.7 t0 -52.82 -50.96 62.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.436 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.582 ' O ' ' N ' ' A' ' 30' ' ' SER . 99.5 m -51.16 -48.9 61.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.726 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.5 -25.48 33.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.505 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -93.08 -7.44 45.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 14.2 p -129.02 -6.24 4.96 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.656 0.265 . . . . 0.0 110.734 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.582 ' N ' ' O ' ' A' ' 26' ' ' THR . 2.4 t -121.04 147.26 45.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.906 0.384 . . . . 0.0 110.812 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.432 ' HB3' ' H ' ' B' ' 147' ' ' GLY . 12.4 p -119.97 17.18 12.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.041 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' ILE . 10.7 m-20 -75.24 90.94 2.61 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.586 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.636 ' HA ' HD12 ' A' ' 36' ' ' LEU . 3.1 mt -38.7 -39.08 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.824 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -58.62 -59.02 6.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.38 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.449 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 13.4 mt -58.69 -40.17 82.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.139 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 33' ' ' ILE . 90.6 mt -55.74 -43.53 76.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.282 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.04 -48.9 66.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.371 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.65 -45.65 93.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.435 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 71.6 m -59.79 -53.47 57.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.124 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.5 mtp85 -52.99 -42.69 65.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.241 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -57.86 -60.93 2.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.78 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.542 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.4 pt-20 -60.89 -37.87 83.71 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.559 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.462 ' CD1' HD13 ' B' ' 173' ' ' LEU . 12.1 t80 -57.86 -39.4 77.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.348 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -72.04 -53.17 13.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.369 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 59.6 mtt85 -45.86 -48.17 15.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.39 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 -50.5 -34.66 26.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.408 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.0 mt -90.16 -60.19 1.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.564 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -47.16 -30.78 3.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.609 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.439 HG12 ' N ' ' A' ' 50' ' ' TYR . 21.4 t -101.5 158.51 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.459 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 50' ' ' TYR . 11.9 p90 -154.83 50.5 0.6 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.546 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.9 p80 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.595 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.523 ' N ' ' O ' ' B' ' 117' ' ' VAL . 31.6 ttp . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -87.1 130.44 34.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.725 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 18.6 pt -132.24 153.28 38.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.461 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -111.34 145.65 38.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.72 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 98.4 t -123.27 109.65 24.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.362 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -82.33 137.25 34.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.645 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 107' ' ' THR . . . . . 0.413 HG23 ' O ' ' B' ' 111' ' ' LYS . 64.4 p -103.25 -156.67 0.57 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.397 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.928 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.4 OUTLIER -83.87 -58.4 2.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.466 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 19.8 p -61.22 0.12 0.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.58 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 110' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' B' ' 108' ' ' LEU . . . 95.3 -13.32 66.97 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.413 ' O ' HG23 ' B' ' 107' ' ' THR . 43.1 tttp -53.97 122.04 9.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 110.46 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.1 m -104.64 142.61 34.35 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.473 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.416 HD13 HG21 ' B' ' 113' ' ' ILE . 5.7 mt -122.66 129.81 74.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.522 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 8.8 m -99.4 124.85 44.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.361 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 28.0 mt -130.91 140.68 50.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.906 0.384 . . . . 0.0 110.674 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.46 ' N ' ' CD ' ' B' ' 116' ' ' GLU . 19.3 mp0 -89.9 120.65 31.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.221 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 117' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' B' ' 101' ' ' MET . 4.1 m -142.01 -168.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.836 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.576 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 10.5 mt-10 -144.88 147.59 35.78 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.017 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.06 -9.8 0.05 OUTLIER 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.32 2.014 . . . . 0.0 112.25 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 120' ' ' SER . . . . . 0.495 ' N ' ' O ' ' B' ' 118' ' ' GLU . 2.4 p -104.64 11.74 33.78 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.882 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 121' ' ' ASP . . . . . 0.576 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 1.1 m-20 -86.35 135.37 33.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.326 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 7.9 p -81.95 134.74 35.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 30.9 mm -44.93 -46.57 2.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.258 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -54.06 -36.41 63.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.15 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -65.61 -41.62 92.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.087 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 18.2 t -62.77 -42.75 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.027 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -58.34 -39.04 78.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.094 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.15 97.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.195 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -60.39 -50.3 74.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.286 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 79.2 mt -57.17 -47.09 84.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.372 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.01 -29.74 58.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.309 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -72.61 -40.19 66.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.45 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -71.21 -64.91 0.82 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.215 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -77.91 -116.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.501 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -167.11 10.66 0.06 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.443 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 40.4 mt -80.76 116.28 61.22 Favored Pre-proline 0 C--N 1.33 -0.273 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.2 152.84 63.23 Favored 'Trans proline' 0 C--N 1.315 -1.234 0 C-N-CA 121.446 1.431 . . . . 0.0 111.618 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -47.22 -60.97 0.68 Allowed 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.451 2.101 . . . . 0.0 111.832 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -47.04 -23.28 0.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.603 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -101.03 30.95 3.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.673 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 141' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 85.8 mt-30 -134.42 142.03 47.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.605 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 142' ' ' ARG . . . . . 0.656 ' NH1' HH21 ' A' ' 24' ' ' ARG . 17.1 ttm180 -151.69 114.5 4.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.295 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.7 mt -92.2 132.98 36.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.043 0.449 . . . . 0.0 110.95 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.9 mt -128.98 142.7 43.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.297 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 145' ' ' PHE . . . . . 0.427 ' O ' ' HB3' ' B' ' 146' ' ' ALA . 59.5 t80 -144.8 102.58 3.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.622 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 146' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' B' ' 145' ' ' PHE . . . 66.48 69.12 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.773 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 147' ' ' GLY . . . . . 0.432 ' H ' ' HB3' ' A' ' 31' ' ' CYS . . . 42.35 45.21 5.26 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -149.69 116.84 6.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.594 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 149' ' ' GLN . . . . . 0.519 ' NE2' ' O ' ' B' ' 150' ' ' LEU . 19.0 tm0? -78.76 126.46 30.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.175 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.519 ' O ' ' NE2' ' B' ' 149' ' ' GLN . 10.2 mt -79.13 117.3 20.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 0.0 110.692 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -53.36 156.01 2.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.546 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.18 -13.85 42.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -110.9 36.97 3.94 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -139.42 171.65 13.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.767 0.318 . . . . 0.0 110.37 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 155' ' ' THR . . . . . 0.491 ' N ' ' OD2' ' B' ' 158' ' ' ASP . 7.3 p -107.48 159.59 16.29 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.681 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 156' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' B' ' 159' ' ' TYR . 48.2 mt -52.61 -47.46 66.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.589 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 157' ' ' SER . . . . . 0.474 ' C ' ' H ' ' B' ' 159' ' ' TYR . 22.8 p -45.05 -31.72 1.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 158' ' ' ASP . . . . . 0.491 ' OD2' ' N ' ' B' ' 155' ' ' THR . 11.7 m-20 -66.96 6.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.7 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 159' ' ' TYR . . . . . 0.474 ' H ' ' C ' ' B' ' 157' ' ' SER . 78.4 m-85 -140.64 20.37 2.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.517 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 41.14 40.23 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 84.6 mt -82.73 105.0 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.305 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -81.53 -162.56 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.723 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -80.58 161.62 24.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.648 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 56.0 33.34 21.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.748 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 39.9 m -87.89 127.56 35.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.551 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 8.6 m -91.59 100.48 13.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.524 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.6 mt -82.09 164.01 21.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.455 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 168' ' ' HIS . . . . . 0.638 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.2 OUTLIER -115.72 100.66 8.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.282 179.802 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 66.5 tp -80.66 145.34 31.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.717 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 170' ' ' VAL . . . . . 0.406 HG22 HD13 ' A' ' 36' ' ' LEU . 2.2 t -147.05 138.04 17.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.266 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.646 ' N ' HD12 ' B' ' 171' ' ' LEU . 8.2 mp -82.24 110.1 17.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.503 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 172' ' ' ARG . . . . . 0.59 ' HE ' ' H ' ' B' ' 175' ' ' GLY . 49.5 ttt180 -62.72 112.71 2.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.302 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 173' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 43' ' ' PHE . 10.2 mt -81.54 72.87 8.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.605 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 45.71 94.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.658 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 175' ' ' GLY . . . . . 0.59 ' H ' ' HE ' ' B' ' 172' ' ' ARG . . . -87.26 -158.22 32.25 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.649 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 201' ' ' MET . . . . . 0.534 ' N ' ' O ' ' C' ' 217' ' ' VAL . 33.1 ttp . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -89.97 115.18 27.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.728 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 11.7 pt -110.15 144.6 17.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.422 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -95.13 140.94 29.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.728 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 49.4 t -129.73 110.78 20.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.469 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -93.0 133.22 36.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.611 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 46.6 p -91.67 -163.45 1.04 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.359 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 208' ' ' LEU . . . . . 0.883 HD12 ' N ' ' C' ' 208' ' ' LEU . 1.6 mp -100.94 24.7 8.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.491 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 1.7 p -136.61 -0.82 2.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.533 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 94.36 27.96 11.22 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -103.19 110.84 22.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.324 . . . . 0.0 110.5 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 54.9 m -103.07 105.17 15.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.611 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 213' ' ' ILE . . . . . 0.446 HG22 ' H ' ' C' ' 214' ' ' THR . 0.6 OUTLIER -88.31 -179.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.152 179.794 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 214' ' ' THR . . . . . 0.446 ' H ' HG22 ' C' ' 213' ' ' ILE . 98.0 m -142.18 96.12 2.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.067 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 215' ' ' LEU . . . . . 0.734 HD22 ' N ' ' C' ' 215' ' ' LEU . 2.9 mm? -92.71 128.73 38.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.96 0.409 . . . . 0.0 110.967 -179.4 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -87.07 121.32 29.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.011 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 217' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' C' ' 201' ' ' MET . 33.7 m -149.64 -165.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 0.0 110.96 -179.433 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 218' ' ' GLU . . . . . 0.584 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 2.0 mt-10 -141.08 148.76 53.16 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.719 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.02 -27.13 4.03 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.412 2.075 . . . . 0.0 112.471 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.18 13.59 12.88 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 121.009 -0.277 . . . . 0.0 111.024 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 221' ' ' ASP . . . . . 0.584 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 1.2 m-20 -86.14 135.76 33.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.44 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 222' ' ' THR . . . . . 0.407 ' O ' ' N ' ' C' ' 225' ' ' ASN . 7.2 p -83.71 133.57 34.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.721 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 28.5 mm -40.55 -42.47 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.455 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -56.21 -45.12 80.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.407 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 225' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' C' ' 222' ' ' THR . 4.4 m-20 -60.72 -39.97 90.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.07 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 11.9 t -60.86 -44.55 97.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.074 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 227' ' ' LYS . . . . . 0.437 ' O ' ' OE1' ' C' ' 241' ' ' GLN . 74.1 mttt -56.74 -43.4 80.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.117 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -58.54 -44.17 89.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.232 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -58.96 -44.61 91.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.373 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 20.9 mt -61.49 -34.11 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.22 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -65.61 -35.56 81.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.218 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -72.34 -25.61 61.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.559 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 44.8 mmtt -83.6 -65.79 0.97 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.505 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -81.76 -88.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.501 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 159.98 8.64 0.05 OUTLIER Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 236' ' ' ILE . . . . . 0.52 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 49.2 mt -77.05 130.4 75.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -54.61 146.1 55.69 Favored 'Trans proline' 0 C--N 1.315 -1.225 0 C-N-CA 121.673 1.582 . . . . 0.0 111.632 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -51.96 -34.79 57.96 Favored 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 122.134 1.889 . . . . 0.0 111.75 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 239' ' ' ASP . . . . . 0.515 ' OD1' ' NH2' ' C' ' 272' ' ' ARG . 32.2 t70 -67.08 -44.74 79.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.656 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -82.1 39.81 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.686 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 241' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 78.7 mt-30 -134.49 73.7 1.5 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.749 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 242' ' ' ARG . . . . . 0.499 ' NE ' ' OE1' ' C' ' 249' ' ' GLN . 20.5 ttm180 -89.99 119.17 30.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.177 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 15.8 mt -96.93 132.99 42.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.016 0.436 . . . . 0.0 110.895 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.6 mt -128.2 123.07 59.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.11 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 245' ' ' PHE . . . . . 0.534 ' O ' ' HB3' ' C' ' 246' ' ' ALA . 57.5 t80 -114.54 76.52 1.0 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.942 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 246' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' C' ' 245' ' ' PHE . . . 71.78 89.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.685 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 247' ' ' GLY . . . . . 0.503 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 39.41 27.19 0.08 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 248' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' C' ' 246' ' ' ALA . 16.2 mmtm -131.82 97.5 4.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.83 0.348 . . . . 0.0 110.505 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 249' ' ' GLN . . . . . 0.499 ' OE1' ' NE ' ' C' ' 242' ' ' ARG . 9.3 tt0 -73.13 125.95 28.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.27 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 11.4 mt -80.83 131.65 35.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.729 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -79.31 159.93 27.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.439 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.94 -20.61 38.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.743 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -102.47 38.35 3.24 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -139.14 174.18 10.78 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 33.0 p -115.65 164.77 13.85 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.911 0.386 . . . . 0.0 110.812 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 256' ' ' LEU . . . . . 0.448 ' CD1' HG21 ' C' ' 217' ' ' VAL . 79.8 mt -60.59 -39.05 86.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.684 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 257' ' ' SER . . . . . . . . . . . . . 5.0 t -58.15 -44.02 87.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.728 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -47.71 -38.4 15.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.659 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -93.59 23.47 4.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.757 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 30.9 t30 46.64 26.05 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 84.2 mt -73.6 102.9 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.349 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -85.15 -157.04 0.28 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -82.86 161.81 21.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.783 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 50.23 32.52 6.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.547 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 38.7 m -91.89 131.47 37.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.614 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 25.7 m -77.83 147.65 35.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.289 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 9.9 mt -139.23 123.31 17.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.652 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 268' ' ' HIS . . . . . 0.64 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -78.84 105.57 10.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.235 179.816 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 269' ' ' LEU . . . . . 0.489 ' O ' HD11 ' C' ' 208' ' ' LEU . 61.2 tp -83.11 144.53 29.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.889 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 270' ' ' VAL . . . . . 0.508 HG22 HD13 ' D' ' 336' ' ' LEU . 2.1 t -144.36 156.09 15.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.248 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 271' ' ' LEU . . . . . 0.672 ' N ' HD12 ' C' ' 271' ' ' LEU . 7.1 mp -99.1 92.72 5.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.328 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 272' ' ' ARG . . . . . 0.515 ' NH2' ' OD1' ' C' ' 239' ' ' ASP . 29.1 ttp180 -46.19 112.09 0.44 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.637 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 273' ' ' LEU . . . . . 0.455 HD13 ' CD1' ' D' ' 343' ' ' PHE . 33.8 mt -82.39 137.23 34.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.498 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 75.4 mtt85 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.545 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.825 0.345 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -81.3 92.96 6.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.591 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 11.1 mt -95.2 44.38 1.09 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.544 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 59.8 p -83.23 3.49 30.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.694 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -146.17 72.86 1.31 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.603 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -130.18 167.02 19.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.406 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -114.73 165.55 12.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.732 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 320' ' ' TYR . . . . . 0.406 ' OH ' ' NH1' ' D' ' 324' ' ' ARG . 13.2 t80 -61.46 -48.91 78.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.506 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 321' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' D' ' 325' ' ' ASP . . . -61.9 -43.91 97.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.761 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 322' ' ' GLU . . . . . 0.4 ' O ' ' OG1' ' D' ' 326' ' ' THR . 94.1 mt-10 -57.34 -54.92 41.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.718 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 323' ' ' LEU . . . . . 0.546 HD21 ' CD ' ' D' ' 342' ' ' GLU . 14.5 mt -57.33 -59.41 5.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.773 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 324' ' ' ARG . . . . . 0.473 ' O ' ' ND2' ' D' ' 328' ' ' ASN . 8.7 tpt180 -55.43 -50.1 70.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.7 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 325' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' D' ' 329' ' ' THR . 19.6 t70 -58.42 -48.54 80.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.73 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 326' ' ' THR . . . . . 0.501 ' O ' ' N ' ' D' ' 330' ' ' SER . 64.7 m -55.4 -42.45 74.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.574 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 82.5 mt -72.41 -35.66 52.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.422 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 328' ' ' ASN . . . . . 0.66 ' N ' HD22 ' D' ' 328' ' ' ASN . 0.8 OUTLIER -81.69 -20.55 39.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.939 -179.688 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.501 ' N ' ' O ' ' D' ' 325' ' ' ASP . 72.7 p -105.63 -51.03 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.848 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 330' ' ' SER . . . . . 0.501 ' N ' ' O ' ' D' ' 326' ' ' THR . 1.0 OUTLIER -72.6 -179.52 3.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.012 0.434 . . . . 0.0 110.939 -179.572 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 331' ' ' CYS . . . . . 0.503 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 9.1 p -149.96 12.65 0.77 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.199 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -73.4 93.73 1.98 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.623 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 333' ' ' ILE . . . . . 0.693 ' HA ' HD12 ' D' ' 336' ' ' LEU . 2.9 mt -38.96 -40.1 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.731 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -57.42 -55.96 28.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.268 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 335' ' ' LEU . . . . . 0.483 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 10.1 mt -60.81 -37.79 83.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.145 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 336' ' ' LEU . . . . . 0.693 HD12 ' HA ' ' D' ' 333' ' ' ILE . 92.5 mt -56.65 -43.27 80.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.167 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -68.29 -49.03 63.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.435 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.98 96.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.458 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 339' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 72.2 m -59.48 -53.34 59.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.225 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 14.0 mtp85 -56.07 -39.18 71.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.366 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -58.93 -52.95 63.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.664 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 342' ' ' GLU . . . . . 0.546 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.6 pt-20 -71.2 -36.41 71.91 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.505 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 343' ' ' PHE . . . . . 0.455 ' CD1' HD13 ' C' ' 273' ' ' LEU . 8.4 t80 -59.31 -35.41 73.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.351 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -79.38 -52.77 7.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.241 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.08 -42.37 13.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.044 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 9.0 mtp85 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.368 179.804 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.792 0.329 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -79.23 92.79 5.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.619 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -102.67 38.35 1.73 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.413 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.8 t -78.15 11.18 2.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.709 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.7 pttt -161.23 81.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 0.0 110.758 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -133.49 163.69 28.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.142 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -105.05 157.75 17.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.609 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 29.3 t80 -59.68 -47.53 85.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.51 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.78 -41.72 98.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.544 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -60.01 -55.67 31.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.519 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.536 HD21 ' CD ' ' A' ' 42' ' ' GLU . 14.8 mt -54.38 -59.66 4.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.324 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.583 ' NH2' ' NH1' ' B' ' 142' ' ' ARG . 9.1 tpt85 -54.55 -52.68 61.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.322 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' THR . 5.9 t70 -52.38 -51.57 58.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.32 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.545 ' O ' ' N ' ' A' ' 30' ' ' SER . 74.6 m -52.1 -45.09 64.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.346 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.5 mt -70.32 -22.76 24.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.413 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.853 ' ND2' HH22 ' B' ' 142' ' ' ARG . 2.1 m-20 -99.29 -2.73 35.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 25' ' ' ASP . 21.4 p -133.59 -4.94 2.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.988 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.545 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.6 t -122.73 145.97 47.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.941 0.4 . . . . 0.0 110.831 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.597 ' SG ' ' CG ' ' B' ' 168' ' ' HIS . 14.5 t -120.66 30.08 7.1 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.351 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.5 94.37 9.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.355 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.438 ' HA ' HD12 ' A' ' 36' ' ' LEU . 2.4 mt -39.79 -41.17 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.863 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -57.22 -59.15 5.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.454 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.84 -46.7 84.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.976 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.45 HD13 ' CG2' ' B' ' 170' ' ' VAL . 93.8 mt -50.73 -42.8 57.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.329 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.48 -48.98 70.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.338 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.51 -46.41 90.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.379 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.9 m -59.81 -53.56 56.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.239 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.2 mtp85 -52.58 -41.43 63.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.311 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -59.73 -62.82 1.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.633 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.536 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.6 pt-20 -59.86 -37.99 80.86 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.694 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.553 ' CD1' HD13 ' B' ' 173' ' ' LEU . 24.2 t80 -54.85 -51.9 64.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.714 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' A' ' 47' ' ' LEU . 11.5 m-70 -64.97 -47.58 77.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.456 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -45.64 -47.48 14.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.079 0.466 . . . . 0.0 109.836 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -55.82 -34.93 65.81 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.424 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 44' ' ' HIS . 6.7 mp -76.85 -28.3 55.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.178 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.9 tttp -72.79 -66.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.628 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.577 HG22 ' N ' ' A' ' 50' ' ' TYR . 10.5 p -88.48 166.16 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.409 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.577 ' N ' HG22 ' A' ' 49' ' ' VAL . 6.9 p90 -151.18 74.48 1.15 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.533 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.617 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.541 ' N ' ' O ' ' B' ' 117' ' ' VAL . 32.0 ttp . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 102' ' ' GLN . . . . . 0.481 ' NE2' HG22 ' B' ' 114' ' ' THR . 4.7 tp60 -111.97 144.44 41.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.439 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 18.5 pt -146.98 145.86 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.716 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -99.67 153.28 19.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.614 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 16.7 t -136.15 107.01 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.37 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -95.25 133.93 38.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.537 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 34.6 p -96.11 -172.84 2.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.44 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.926 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.5 OUTLIER -84.05 23.27 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.396 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 15.4 p -136.54 8.09 3.08 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.527 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.96 7.36 88.01 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -79.36 114.9 18.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.75 0.31 . . . . 0.0 110.504 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 21.7 m -99.64 144.56 28.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.59 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 1.2 mt -133.59 125.59 50.18 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.449 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 114' ' ' THR . . . . . 0.481 HG22 ' NE2' ' B' ' 102' ' ' GLN . 8.3 m -92.53 99.66 12.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.57 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.514 ' N ' HD12 ' B' ' 115' ' ' LEU . 10.8 mp -99.31 145.91 26.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.619 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -102.39 122.47 44.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.169 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 117' ' ' VAL . . . . . 0.541 ' O ' ' N ' ' B' ' 101' ' ' MET . 14.3 m -147.49 -165.87 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.938 0.399 . . . . 0.0 110.828 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -144.29 149.18 43.87 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.027 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -47.25 -15.79 0.3 Allowed 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.579 2.186 . . . . 0.0 112.642 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.4 p -100.25 13.79 33.11 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 121.064 -0.255 . . . . 0.0 111.205 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -86.65 136.43 33.04 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.424 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 122' ' ' THR . . . . . 0.494 ' O ' ' N ' ' B' ' 125' ' ' ASN . 19.7 p -82.71 130.87 35.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.64 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 31.5 mm -40.68 -45.0 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.452 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -55.69 -39.29 70.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.113 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 125' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' B' ' 122' ' ' THR . 31.2 t-20 -63.74 -38.58 91.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.097 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 27.0 t -64.18 -45.59 95.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.119 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 127' ' ' LYS . . . . . 0.662 ' HZ1' ' H ' ' B' ' 143' ' ' LEU . 42.2 mttm -56.45 -38.23 71.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.101 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.76 94.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.255 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -60.09 -45.25 93.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.419 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 66.2 mt -62.5 -46.37 96.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.327 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 131' ' ' GLN . . . . . 0.431 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.5 OUTLIER -55.18 -30.26 59.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.335 179.833 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -78.56 -24.25 45.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.506 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -82.58 -60.4 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.556 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -86.55 -107.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.538 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -171.39 11.91 0.04 OUTLIER Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 27.3 mt -85.79 115.25 60.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.15 154.57 56.63 Favored 'Trans proline' 0 C--N 1.314 -1.242 0 C-N-CA 121.485 1.457 . . . . 0.0 111.63 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -46.71 -64.13 0.27 Allowed 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.454 2.102 . . . . 0.0 111.864 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 139' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' B' ' 139' ' ' ASP . 11.0 t0 -44.57 -21.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.691 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.439 ' N ' ' C ' ' B' ' 138' ' ' PRO . 75.9 mt-30 -104.37 33.71 3.4 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.611 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 141' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' B' ' 138' ' ' PRO . 70.7 mt-30 -134.34 158.94 42.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.474 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 142' ' ' ARG . . . . . 0.853 HH22 ' ND2' ' A' ' 28' ' ' ASN . 20.4 ttt180 -170.26 108.32 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.231 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.662 ' H ' ' HZ1' ' B' ' 127' ' ' LYS . 15.2 mt -89.96 130.77 36.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.116 0.484 . . . . 0.0 111.035 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 144' ' ' ILE . . . . . 0.519 HG22 ' SG ' ' A' ' 31' ' ' CYS . 1.7 mt -125.82 141.93 44.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.149 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 145' ' ' PHE . . . . . 0.488 ' O ' ' HB3' ' B' ' 146' ' ' ALA . 27.1 t80 -149.35 105.2 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.779 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 146' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' B' ' 145' ' ' PHE . . . 69.7 68.97 0.24 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.688 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 39.92 32.36 0.35 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -136.8 118.08 14.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.773 0.321 . . . . 0.0 110.668 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 149' ' ' GLN . . . . . 0.799 ' NE2' ' HE ' ' B' ' 142' ' ' ARG . 31.3 tt0 -79.61 127.89 32.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.07 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 12.9 mt -78.19 114.95 17.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.362 . . . . 0.0 110.768 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -57.51 160.77 3.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.697 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -85.75 -29.56 23.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.709 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -95.13 38.17 3.2 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 14.0 mmt85 -139.48 174.3 10.66 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 28.5 p -111.65 172.4 6.92 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.873 0.368 . . . . 0.0 110.793 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 156' ' ' LEU . . . . . 0.401 ' CD1' HG21 ' B' ' 117' ' ' VAL . 86.5 mt -65.6 -46.84 77.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.609 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 157' ' ' SER . . . . . 0.472 ' C ' ' H ' ' B' ' 159' ' ' TYR . 13.0 p -52.94 -32.25 44.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -68.98 10.94 0.23 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.761 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 159' ' ' TYR . . . . . 0.472 ' H ' ' C ' ' B' ' 157' ' ' SER . 62.0 m-85 -140.67 15.61 2.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.642 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 5.3 m120 53.46 27.49 6.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.702 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 93.0 mt -79.17 96.06 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.43 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -79.95 -157.39 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.652 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 6.7 ptp85 -82.26 160.29 22.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.713 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 55.46 28.37 11.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.645 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 39.6 m -82.67 130.07 35.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.589 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 9.9 m -84.85 114.95 22.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.493 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 11.7 mt -102.34 128.67 48.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.944 0.402 . . . . 0.0 110.699 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 168' ' ' HIS . . . . . 0.79 ' N ' ' CD2' ' B' ' 168' ' ' HIS . 1.1 m170 -86.89 103.44 15.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.129 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 54.9 tp -83.01 136.45 34.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.899 0.38 . . . . 0.0 110.855 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 170' ' ' VAL . . . . . 0.45 ' CG2' HD13 ' A' ' 36' ' ' LEU . 2.3 t -139.93 139.57 37.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.326 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.63 ' N ' HD12 ' B' ' 171' ' ' LEU . 8.4 mp -79.08 109.76 13.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.636 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -60.54 110.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.556 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 173' ' ' LEU . . . . . 0.553 HD13 ' CD1' ' A' ' 43' ' ' PHE . 13.2 mt -87.82 47.14 1.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.502 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 174' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' B' ' 173' ' ' LEU . 94.6 mtt180 56.51 158.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.543 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . -178.06 -128.38 1.16 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 201' ' ' MET . . . . . . . . . . . . . 1.3 ptt? . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -92.84 110.21 21.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.574 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 26.3 pt -102.2 154.56 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.651 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -100.46 149.96 23.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.598 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 68.8 t -136.94 106.84 5.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.263 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -91.48 135.18 34.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.605 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 32.8 p -102.48 175.82 5.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.446 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 208' ' ' LEU . . . . . 0.984 HD22 ' H ' ' C' ' 208' ' ' LEU . 0.0 OUTLIER -46.55 -55.41 7.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.236 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 6.4 p -62.0 -8.24 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.585 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 89.18 13.37 62.05 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -70.29 117.65 12.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 110.541 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 10.3 m -90.08 138.97 31.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.652 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 1.8 mt -132.88 125.18 51.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.5 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 20.5 m -89.69 130.89 35.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.284 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 32.8 mt -130.22 123.35 29.97 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.844 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -80.81 79.54 7.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.273 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 217' ' ' VAL . . . . . . . . . . . . . 15.5 m -104.4 176.43 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.965 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 218' ' ' GLU . . . . . 0.549 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 3.3 mm-40 -120.62 176.6 1.77 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.614 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -75.11 -32.89 4.89 Favored 'Trans proline' 0 C--N 1.311 -1.431 0 C-N-CA 122.376 2.05 . . . . 0.0 112.015 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 2.1 p -80.43 -8.37 59.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.517 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 221' ' ' ASP . . . . . 0.549 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 19.6 m-20 -60.72 133.71 56.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.426 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 18.2 p -86.58 140.87 29.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.732 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 21.7 mm -44.48 -51.91 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.466 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -50.08 -38.65 39.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.279 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 225' ' ' ASN . . . . . 0.501 ' O ' ' HB3' ' C' ' 228' ' ' ALA . 30.3 t-20 -61.93 -48.21 81.46 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 42.8 t -55.18 -46.93 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -53.86 -34.51 59.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.79 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 228' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' C' ' 225' ' ' ASN . . . -64.9 -44.3 90.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.97 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -59.03 -39.78 83.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.076 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 18.2 mt -69.49 -25.4 28.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.103 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -71.6 -33.82 69.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.208 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -76.65 -33.42 58.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.468 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 20.7 mmtm -76.25 -60.9 2.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.456 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -83.85 -90.25 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.513 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 158.54 10.18 0.05 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 236' ' ' ILE . . . . . 0.525 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 30.1 mt -80.33 130.6 64.88 Favored Pre-proline 0 C--N 1.33 -0.263 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -55.38 144.79 70.87 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 121.707 1.605 . . . . 0.0 111.555 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -52.61 -31.66 50.7 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 122.075 1.85 . . . . 0.0 111.775 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 239' ' ' ASP . . . . . 0.462 ' C ' ' H ' ' C' ' 241' ' ' GLN . 16.8 t0 -70.78 -53.79 14.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.664 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -71.76 41.63 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.747 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 241' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 60.5 mt-30 -134.51 162.6 31.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 242' ' ' ARG . . . . . . . . . . . . . 29.5 ttm-85 -170.34 144.59 2.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.164 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 15.3 mt -127.08 138.19 53.16 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.165 0.507 . . . . 0.0 111.066 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 2.1 mt -129.76 121.12 51.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.96 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 245' ' ' PHE . . . . . 0.434 ' CE1' ' OD2' ' A' ' 25' ' ' ASP . 70.4 t80 -108.84 72.04 0.8 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.876 0.37 . . . . 0.0 111.064 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 62.07 87.07 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.004 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 247' ' ' GLY . . . . . 0.715 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 54.92 24.48 34.43 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 23.3 mmtm -129.78 89.71 2.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.69 0.281 . . . . 0.0 110.57 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -71.88 113.6 9.09 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 9.7 mt -76.81 131.14 38.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.944 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -86.78 158.46 19.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.428 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.87 -0.92 29.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.939 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -123.03 40.33 2.03 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 36.9 mmt-85 -139.52 178.31 7.3 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 26.5 p -120.92 157.76 29.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.585 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.47 -12.29 14.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.633 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 257' ' ' SER . . . . . . . . . . . . . 33.0 t -85.04 -40.92 16.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.406 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -49.56 -41.94 42.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.496 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -85.9 -2.47 58.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.604 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 2.0 m120 64.79 38.77 6.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 87.5 mt -81.12 111.34 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.338 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -83.04 -160.7 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -85.68 160.66 19.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.951 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 54.97 26.71 8.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.865 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 1.8 m -83.52 137.8 33.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.39 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 4.3 m -84.48 116.74 23.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.652 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 4.7 mp -108.99 124.53 50.85 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.366 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 268' ' ' HIS . . . . . 0.623 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.1 OUTLIER -84.04 113.28 20.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.344 179.816 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 11.5 tp -84.09 142.15 30.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.873 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 1.9 t -147.0 137.28 17.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.13 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 271' ' ' LEU . . . . . 0.942 ' H ' HD22 ' C' ' 271' ' ' LEU . 0.3 OUTLIER -92.69 109.25 20.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.703 -179.669 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -63.3 113.77 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.555 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 273' ' ' LEU . . . . . 0.523 ' O ' ' NH1' ' D' ' 324' ' ' ARG . 13.4 mt -80.32 126.81 31.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.544 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.457 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.84 0.352 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -79.21 92.79 5.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.511 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 14.0 mt -90.64 40.44 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.617 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 25.0 t -90.75 17.02 8.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.666 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -147.87 43.01 1.06 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.59 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 17.5 m95 -112.13 179.07 4.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.604 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -132.42 168.37 18.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.503 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 320' ' ' TYR . . . . . 0.424 ' CD1' ' C ' ' D' ' 320' ' ' TYR . 15.2 t80 -59.17 -47.3 85.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.576 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -58.31 -52.03 67.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.834 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -56.33 -56.26 23.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.851 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 323' ' ' LEU . . . . . 0.551 HD21 ' CD ' ' D' ' 342' ' ' GLU . 14.0 mt -56.79 -56.13 25.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.7 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 324' ' ' ARG . . . . . 0.523 ' NH1' ' O ' ' C' ' 273' ' ' LEU . 6.1 tpt180 -53.04 -46.24 68.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.566 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 325' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' D' ' 329' ' ' THR . 15.7 m-20 -62.6 -48.11 80.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.483 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 326' ' ' THR . . . . . 0.512 ' O ' ' N ' ' D' ' 330' ' ' SER . 6.5 m -53.07 -45.84 68.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.756 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 91.3 mt -75.57 -24.78 17.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 328' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -95.9 -0.79 50.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.06 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.467 ' N ' ' O ' ' D' ' 325' ' ' ASP . 57.8 p -136.72 -41.79 0.61 Allowed 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 121.048 -0.261 . . . . 0.0 111.349 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 330' ' ' SER . . . . . 0.512 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.5 OUTLIER -76.32 168.58 19.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.177 0.513 . . . . 0.0 111.408 -179.2 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 331' ' ' CYS . . . . . 0.715 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 27.8 p -146.77 88.44 1.76 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.431 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -161.61 100.92 1.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.377 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 333' ' ' ILE . . . . . 0.402 HD13 HG21 ' D' ' 333' ' ' ILE . 1.9 mt -38.8 -43.63 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.817 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -55.78 -58.97 5.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.442 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 335' ' ' LEU . . . . . 0.484 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 9.7 mt -60.5 -52.65 64.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.158 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 28.3 mt -50.59 -46.65 58.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.536 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.35 78.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.467 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.22 -42.23 96.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.341 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 339' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 69.8 m -58.34 -50.74 72.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.289 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 340' ' ' ARG . . . . . 0.518 ' HE ' HD21 ' C' ' 273' ' ' LEU . 19.0 mtp-105 -61.8 -38.87 89.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.526 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -56.65 -57.41 12.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.684 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 342' ' ' GLU . . . . . 0.551 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.7 pt-20 -63.42 -33.08 74.78 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.618 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -63.21 -40.01 96.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.246 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 344' ' ' HIS . . . . . 0.405 ' CE1' ' NH2' ' D' ' 340' ' ' ARG . 13.4 m170 -70.78 -50.33 36.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.199 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -51.09 -47.65 61.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.429 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 69.1 mtt-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.882 -179.948 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.738 0.304 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -79.75 92.71 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.413 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.3 mt -107.6 45.28 1.01 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.529 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.0 t -84.6 3.51 36.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.62 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -147.46 71.49 1.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.67 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -129.12 165.47 21.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.412 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.87 169.21 9.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.586 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.522 ' OH ' ' NH1' ' A' ' 24' ' ' ARG . 37.5 t80 -65.65 -47.09 76.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.487 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.86 -35.92 79.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.739 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -68.01 -54.96 14.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.697 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.591 HD21 ' CD ' ' A' ' 42' ' ' GLU . 16.2 mt -56.25 -58.39 8.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.613 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.522 ' NH1' ' OH ' ' A' ' 20' ' ' TYR . 6.8 tpt180 -53.22 -53.37 51.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.486 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.472 ' OD1' ' CZ ' ' C' ' 245' ' ' PHE . 46.4 t0 -53.41 -50.77 64.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.47 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.573 ' O ' ' N ' ' A' ' 30' ' ' SER . 86.8 m -52.14 -50.1 62.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.594 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.422 HG23 HD22 ' A' ' 36' ' ' LEU . 96.5 mt -66.75 -23.89 31.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.605 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.51 ' OD1' ' NH1' ' B' ' 142' ' ' ARG . 1.9 m-80 -95.15 -6.53 41.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.062 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 19.6 p -130.12 -5.96 4.4 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.189 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.573 ' N ' ' O ' ' A' ' 26' ' ' THR . 6.3 t -111.3 156.92 20.8 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.002 0.43 . . . . 0.0 111.06 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.42 ' SG ' ' C ' ' B' ' 147' ' ' GLY . 36.5 m -132.67 33.89 3.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.392 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -103.83 100.56 10.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.669 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.406 HG21 HD13 ' A' ' 33' ' ' ILE . 6.4 mt -43.7 -35.53 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.55 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -61.52 -58.99 5.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.279 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.488 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 11.4 mt -56.77 -44.32 81.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.928 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.422 HD22 HG23 ' A' ' 27' ' ' ILE . 96.2 mt -54.46 -42.67 70.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.469 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.27 -49.11 70.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.567 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.49 92.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.43 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.488 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 78.3 m -57.19 -53.61 56.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.219 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.504 HH21 HD22 ' B' ' 171' ' ' LEU . 16.1 mtp-105 -54.56 -45.45 73.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.316 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -53.22 -62.69 1.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.745 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.591 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.8 pt-20 -61.07 -42.05 97.78 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.506 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.533 ' CG ' HD13 ' B' ' 173' ' ' LEU . 16.4 t80 -52.57 -43.0 64.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.915 0.388 . . . . 0.0 110.145 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -68.84 -45.25 71.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.313 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 49' ' ' VAL . 29.2 mtt85 -49.52 -52.74 27.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.369 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' A' ' 50' ' ' TYR . 1.8 mpt_? -45.94 -34.11 3.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.241 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.1 mt -85.88 -60.29 2.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.474 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -46.61 -46.14 19.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.59 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.531 HG22 ' N ' ' A' ' 50' ' ' TYR . 7.6 p -144.09 160.06 15.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.614 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.531 ' N ' HG22 ' A' ' 49' ' ' VAL . 47.7 t80 55.45 107.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.564 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.465 ' OXT' ' ND1' ' A' ' 51' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.595 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -96.36 120.0 35.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.65 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 17.5 pt -109.33 147.54 13.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.641 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -99.71 141.75 32.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.647 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 94.7 t -127.49 113.73 33.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.412 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -92.74 136.83 32.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.769 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 38.1 p -90.83 -150.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.374 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.907 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.4 OUTLIER -87.2 -52.91 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.495 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 109' ' ' THR . . . . . 0.42 HG23 ' H ' ' B' ' 109' ' ' THR . 19.3 p -56.26 -47.56 78.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.507 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 142.66 5.69 0.77 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -72.29 133.94 45.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.678 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.9 m -108.36 145.78 33.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.464 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 3.8 mt -130.65 128.6 63.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.642 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 21.9 m -97.55 115.18 27.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.301 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 33.1 mt -121.29 134.93 55.17 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.873 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -80.81 127.44 32.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.142 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 15.7 m -147.7 179.77 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.371 . . . . 0.0 110.918 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.532 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 36.0 mt-10 -135.97 148.85 66.61 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.211 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -48.56 -7.01 0.05 OUTLIER 'Trans proline' 0 C--N 1.31 -1.476 0 C-N-CA 122.626 2.218 . . . . 0.0 112.521 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 120' ' ' SER . . . . . 0.489 ' H ' ' C ' ' B' ' 118' ' ' GLU . 2.6 p -102.48 -19.49 14.89 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.992 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 121' ' ' ASP . . . . . 0.532 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 9.2 m-20 -53.58 138.48 34.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.981 0.419 . . . . 0.0 110.74 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 122' ' ' THR . . . . . 0.446 ' O ' ' N ' ' B' ' 125' ' ' ASN . 17.8 p -90.4 134.02 34.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.538 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 27.3 mm -40.96 -45.34 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.549 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -55.46 -41.95 73.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.232 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 125' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' B' ' 122' ' ' THR . 6.9 t-20 -61.37 -37.49 83.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.159 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 27.2 t -64.56 -52.44 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.99 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -49.75 -38.62 34.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.085 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.29 -45.25 88.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.218 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -55.92 -41.19 74.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.141 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 6.1 mt -66.75 -37.53 79.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.245 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -62.01 -25.31 67.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.344 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -84.52 -31.72 24.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.687 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -78.76 -65.39 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.628 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -80.47 -105.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.671 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -176.52 16.44 0.04 OUTLIER Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.517 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 23.5 mt -93.49 112.0 54.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -63.46 154.56 67.8 Favored 'Trans proline' 0 C--N 1.313 -1.293 0 C-N-CA 121.59 1.527 . . . . 0.0 111.794 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.53 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -46.84 -66.05 0.16 Allowed 'Trans proline' 0 C--N 1.31 -1.499 0 C-N-CA 122.593 2.195 . . . . 0.0 112.016 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -42.55 -20.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.696 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' B' ' 138' ' ' PRO . 67.2 mt-30 -110.88 35.33 3.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.542 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 141' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' B' ' 138' ' ' PRO . 54.2 mt-30 -134.34 168.03 19.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.501 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 142' ' ' ARG . . . . . 0.695 HH21 ' NE2' ' B' ' 149' ' ' GLN . 16.2 ttt85 -170.21 130.18 0.93 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.179 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 16.3 mt -112.39 133.54 54.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.046 0.451 . . . . 0.0 110.954 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.6 mt -127.16 134.18 66.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.238 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 145' ' ' PHE . . . . . 0.495 ' O ' ' HB3' ' B' ' 146' ' ' ALA . 86.1 t80 -158.52 144.96 17.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.503 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 146' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' B' ' 145' ' ' PHE . . . 69.6 19.31 7.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 147' ' ' GLY . . . . . 0.42 ' C ' ' SG ' ' A' ' 31' ' ' CYS . . . 76.66 21.41 74.8 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -145.13 152.09 39.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.748 0.309 . . . . 0.0 110.753 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 149' ' ' GLN . . . . . 0.695 ' NE2' HH21 ' B' ' 142' ' ' ARG . 23.3 tt0 -80.07 142.74 34.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.328 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 15.8 mt -91.42 141.69 28.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.831 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -79.1 160.9 26.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.44 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.85 -24.39 26.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -102.91 41.74 2.06 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -139.72 168.71 19.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.732 0.301 . . . . 0.0 110.355 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 6.2 p -108.79 161.84 14.74 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.723 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 57.0 mt -59.32 -31.84 69.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 157' ' ' SER . . . . . 0.488 ' C ' ' H ' ' B' ' 159' ' ' TYR . 6.9 t -65.76 -32.23 73.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.991 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -70.62 14.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.858 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 159' ' ' TYR . . . . . 0.488 ' H ' ' C ' ' B' ' 157' ' ' SER . 60.6 m-85 -140.65 7.66 2.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.603 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 59.61 27.35 16.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.566 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 95.8 mt -77.23 107.49 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.509 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -86.45 -169.71 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.616 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -73.44 160.36 31.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.804 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 56.66 29.24 15.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.696 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 33.0 m -81.9 129.22 34.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.432 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 3.9 m -91.99 106.58 18.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.68 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 2.1 mp -98.31 153.43 18.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.627 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 168' ' ' HIS . . . . . 0.653 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -98.77 123.59 43.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.054 179.778 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 21.3 tp -101.48 118.51 37.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.442 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 170' ' ' VAL . . . . . 0.413 ' CG2' HD13 ' A' ' 36' ' ' LEU . 1.7 t -123.92 141.0 45.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.33 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.635 ' N ' HD12 ' B' ' 171' ' ' LEU . 8.3 mp -82.31 113.8 20.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.637 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -62.96 102.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.53 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 173' ' ' LEU . . . . . 0.533 HD13 ' CG ' ' A' ' 43' ' ' PHE . 18.3 mt -76.62 174.65 10.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.451 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 31.0 mtm180 -152.78 138.91 18.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.525 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . -165.67 9.75 0.07 OUTLIER Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.942 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 201' ' ' MET . . . . . 0.527 ' N ' ' O ' ' C' ' 217' ' ' VAL . 28.9 ttp . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 202' ' ' GLN . . . . . 0.411 ' N ' ' CG ' ' C' ' 201' ' ' MET . 62.7 mt-30 -129.96 129.91 44.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.458 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 6.4 pt -136.12 151.19 28.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.76 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -98.09 153.89 18.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.369 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 77.5 t -137.41 102.47 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.233 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 206' ' ' LYS . . . . . 0.502 ' NZ ' ' OG1' ' C' ' 212' ' ' THR . 16.6 mttp -86.07 135.27 33.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.551 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 40.6 p -101.54 -172.05 2.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.329 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 208' ' ' LEU . . . . . 0.828 ' N ' HD22 ' C' ' 208' ' ' LEU . 2.1 mm? -75.4 -28.72 59.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.256 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 9.8 p -82.11 4.08 24.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.53 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 78.66 28.01 55.85 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -93.53 115.71 28.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.74 0.305 . . . . 0.0 110.651 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 212' ' ' THR . . . . . 0.502 ' OG1' ' NZ ' ' C' ' 206' ' ' LYS . 17.1 m -95.61 107.83 20.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.461 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 1.4 mt -99.65 125.17 53.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.67 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 4.1 m -93.38 107.14 19.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.088 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 19.6 mt -110.61 143.76 40.53 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.959 0.409 . . . . 0.0 111.093 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 216' ' ' GLU . . . . . 0.457 ' N ' ' CD ' ' C' ' 216' ' ' GLU . 5.3 mp0 -96.71 126.75 42.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.173 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 217' ' ' VAL . . . . . 0.527 ' O ' ' N ' ' C' ' 201' ' ' MET . 16.5 m -147.61 -166.71 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.73 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 218' ' ' GLU . . . . . 0.521 ' OE2' ' N ' ' C' ' 201' ' ' MET . 36.5 mm-40 -143.9 148.95 44.36 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.064 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -47.83 -34.89 22.96 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.451 2.101 . . . . 0.0 112.434 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.05 13.92 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.232 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 221' ' ' ASP . . . . . 0.482 ' OD2' ' N ' ' C' ' 218' ' ' GLU . 34.7 m-20 -89.9 135.75 33.45 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.91 0.385 . . . . 0.0 110.324 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 4.2 p -83.2 138.84 33.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.999 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 29.9 mm -46.59 -38.7 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.282 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -58.68 -44.55 90.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.372 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 225' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -61.23 -37.16 82.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.057 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 47.6 t -63.91 -53.81 39.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.138 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 29.3 mttp -49.29 -40.99 36.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.181 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -61.39 -44.86 96.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.298 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -57.04 -43.15 81.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.31 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 5.0 mt -61.85 -51.25 74.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.198 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -51.23 -30.89 18.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.225 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 232' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' C' ' 232' ' ' ASP . 61.7 t0 -75.66 -27.02 58.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.57 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt -82.14 -64.08 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.498 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -86.97 -109.28 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.506 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -169.12 12.29 0.05 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 236' ' ' ILE . . . . . 0.509 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 43.2 mt -81.3 114.92 53.05 Favored Pre-proline 0 C--N 1.329 -0.3 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -64.42 150.06 88.94 Favored 'Trans proline' 0 C--N 1.314 -1.271 0 C-N-CA 121.508 1.472 . . . . 0.0 111.573 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 238' ' ' PRO . . . . . 0.477 ' O ' ' N ' ' C' ' 240' ' ' GLN . 2.7 Cg_endo -48.35 -65.89 0.15 Allowed 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.395 2.063 . . . . 0.0 111.937 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.23 -21.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 240' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' C' ' 238' ' ' PRO . 40.8 mt-30 -105.52 37.01 2.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.738 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 241' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 76.9 mt-30 -134.54 154.13 51.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.054 0.454 . . . . 0.0 110.693 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 242' ' ' ARG . . . . . 0.67 HH22 HH21 ' D' ' 324' ' ' ARG . 11.5 mtt180 -155.1 103.6 2.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.808 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 243' ' ' LEU . . . . . 0.47 HD22 HD23 ' C' ' 267' ' ' LEU . 54.6 mt -84.65 126.14 33.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.6 mt -131.12 117.02 35.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.288 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 245' ' ' PHE . . . . . 0.542 ' O ' ' HB3' ' C' ' 246' ' ' ALA . 52.0 t80 -109.62 77.83 1.09 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.68 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 246' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' C' ' 245' ' ' PHE . . . 72.09 89.59 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.769 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 247' ' ' GLY . . . . . 0.492 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 38.47 31.0 0.1 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 248' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' C' ' 246' ' ' ALA . 26.3 mmtm -133.74 100.92 4.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.785 0.326 . . . . 0.0 110.633 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 249' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' C' ' 250' ' ' LEU . 19.6 tm0? -76.22 125.01 28.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.114 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 250' ' ' LEU . . . . . 0.524 ' O ' ' NE2' ' C' ' 249' ' ' GLN . 8.8 mt -86.55 127.41 34.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.773 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -73.52 160.51 31.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.621 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.12 -18.12 47.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.78 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -105.22 38.93 3.04 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.331 -0.707 . . . . 0.0 111.331 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 28.2 mmt-85 -139.64 172.01 13.41 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 255' ' ' THR . . . . . 0.41 ' OG1' ' OD1' ' C' ' 258' ' ' ASP . 27.7 p -114.7 158.52 21.68 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.678 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 60.8 mt -57.06 -28.67 62.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.672 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 257' ' ' SER . . . . . . . . . . . . . 25.8 p -66.74 -41.34 88.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.733 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 258' ' ' ASP . . . . . 0.41 ' OD1' ' OG1' ' C' ' 255' ' ' THR . 1.0 OUTLIER -52.37 -29.36 23.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.663 -179.843 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -100.42 16.92 22.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.683 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 44.74 41.5 5.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 88.6 mt -84.31 109.44 17.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.383 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -85.24 -157.82 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.797 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -85.6 160.06 19.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 59.73 30.22 19.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.751 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 8.9 m -87.22 132.83 33.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.39 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 5.6 m -86.36 105.58 16.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.636 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 267' ' ' LEU . . . . . 0.47 HD23 HD22 ' C' ' 243' ' ' LEU . 5.5 mp -94.05 121.18 35.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.393 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 268' ' ' HIS . . . . . 0.638 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -83.83 105.9 15.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.476 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 44.9 tp -86.26 133.48 33.82 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.612 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 270' ' ' VAL . . . . . 0.459 HG22 HD13 ' D' ' 336' ' ' LEU . 3.1 t -129.27 163.94 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.58 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 271' ' ' LEU . . . . . 0.755 ' N ' HD12 ' C' ' 271' ' ' LEU . 6.2 mp -97.05 114.8 26.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.528 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -82.88 118.0 23.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.372 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 273' ' ' LEU . . . . . 0.656 ' HG ' HH12 ' D' ' 340' ' ' ARG . 1.2 mt -91.04 154.31 19.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.553 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 274' ' ' ARG . . . . . 0.439 ' CZ ' ' CB ' ' C' ' 274' ' ' ARG . 8.9 mtp-105 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.467 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 . . . . . 0 N--CA 1.461 0.112 0 CA-C-O 120.825 0.345 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -84.77 92.76 8.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.506 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 315' ' ' LEU . . . . . 0.419 HD13 ' OE1' ' D' ' 342' ' ' GLU . 14.8 mt -105.35 45.98 0.94 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.469 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 8.6 t -79.7 -13.01 59.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -146.81 88.48 1.75 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.838 0.351 . . . . 0.0 110.798 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -131.62 168.23 18.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.308 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -110.75 165.92 11.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.729 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 320' ' ' TYR . . . . . 0.479 ' C ' ' CD1' ' D' ' 320' ' ' TYR . 14.3 t80 -63.16 -48.73 77.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.591 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.22 94.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.778 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.67 -53.79 53.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.766 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 323' ' ' LEU . . . . . 0.577 HD21 ' CD ' ' D' ' 342' ' ' GLU . 15.0 mt -59.25 -52.66 64.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.566 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 324' ' ' ARG . . . . . 0.67 HH21 HH22 ' C' ' 242' ' ' ARG . 6.3 tpt180 -59.16 -52.13 67.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.672 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 325' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' D' ' 329' ' ' THR . 14.1 t70 -60.17 -47.13 87.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.729 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 326' ' ' THR . . . . . 0.468 ' O ' ' CB ' ' D' ' 330' ' ' SER . 64.5 m -56.07 -41.83 75.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.666 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 327' ' ' ILE . . . . . 0.568 ' CD1' ' NH2' ' D' ' 340' ' ' ARG . 87.3 mt -73.74 -35.51 43.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.595 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 328' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -81.09 -22.29 39.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.964 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.476 ' N ' ' O ' ' D' ' 325' ' ' ASP . 72.8 p -103.03 -46.98 4.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.843 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 330' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' D' ' 326' ' ' THR . 0.9 OUTLIER -79.74 167.57 20.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.067 0.461 . . . . 0.0 110.861 -179.631 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 331' ' ' CYS . . . . . 0.492 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 6.5 p -138.24 15.27 2.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.051 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 332' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' D' ' 333' ' ' ILE . 20.3 m-20 -74.02 90.96 2.01 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.588 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 333' ' ' ILE . . . . . 0.697 ' HA ' HD12 ' D' ' 336' ' ' LEU . 3.3 mt -38.44 -40.41 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.778 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -56.38 -58.98 5.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.129 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 335' ' ' LEU . . . . . 0.451 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 9.0 mt -57.06 -46.3 82.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.824 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 336' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' D' ' 333' ' ' ILE . 66.3 mt -50.71 -48.54 58.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.139 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -59.72 -49.5 77.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.09 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -60.44 -41.22 93.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.101 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 339' ' ' CYS . . . . . 0.451 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 63.8 m -62.99 -54.07 44.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.2 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 340' ' ' ARG . . . . . 0.656 HH12 ' HG ' ' C' ' 273' ' ' LEU . 0.0 OUTLIER -51.68 -40.21 59.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.355 -0.384 . . . . 0.0 109.966 179.584 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -61.33 -55.13 35.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 342' ' ' GLU . . . . . 0.577 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.1 pt-20 -66.86 -37.04 83.68 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.898 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.08 -48.29 80.85 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.409 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -63.85 -54.46 34.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.209 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -45.91 -56.51 5.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.397 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 68.9 mtt-85 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.614 -179.868 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 . . . . . 0 N--CA 1.46 0.053 0 CA-C-O 120.748 0.309 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -78.61 92.94 4.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.442 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.7 mt -93.18 44.59 1.15 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.575 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.0 t -84.81 -10.5 57.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.819 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -147.46 84.01 1.55 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.739 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -129.93 164.21 24.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.287 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -105.36 165.15 11.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.561 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -66.0 -48.79 70.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.519 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.61 -33.68 74.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.714 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -68.34 -55.61 11.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.681 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.53 HD21 ' CD ' ' A' ' 42' ' ' GLU . 14.3 mt -55.29 -56.94 14.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.446 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -53.34 51.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.392 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.533 ' OD2' ' CZ ' ' C' ' 245' ' ' PHE . 1.5 t70 -53.65 -50.96 64.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.393 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.58 ' O ' ' N ' ' A' ' 30' ' ' SER . 19.7 m -50.87 -51.62 49.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.758 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 53.2 mt -65.04 -27.15 41.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.801 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.526 ' CG ' HH21 ' B' ' 142' ' ' ARG . 1.3 m-80 -98.22 -0.26 44.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.121 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.519 ' N ' ' O ' ' A' ' 25' ' ' ASP . 73.1 p -133.18 -6.24 3.02 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.141 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.58 ' N ' ' O ' ' A' ' 26' ' ' THR . 7.6 t -109.53 169.69 8.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.007 0.432 . . . . 0.0 111.153 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 85.8 m -144.28 39.36 1.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.401 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -115.79 104.4 11.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.733 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.445 ' HA ' HD12 ' A' ' 36' ' ' LEU . 5.6 mt -43.16 -36.04 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.449 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -62.0 -53.85 49.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.113 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.486 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 10.1 mt -64.34 -43.22 95.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.036 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 33' ' ' ILE . 17.0 mt -59.94 -47.21 86.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.163 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.99 -49.07 73.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.476 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.408 ' O ' ' HG2' ' A' ' 41' ' ' GLU . . . -61.5 -52.41 64.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.372 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 98.3 m -51.8 -43.97 63.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.386 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.4 mtp-105 -68.59 -33.12 73.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.446 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.445 ' CG ' ' N ' ' A' ' 42' ' ' GLU . 2.6 pt-20 -66.48 -45.43 79.68 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.615 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.53 ' CD ' HD21 ' A' ' 23' ' ' LEU . 4.0 pt-20 -71.81 -35.9 70.1 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.299 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -61.49 -44.69 96.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.926 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -66.73 -54.02 27.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.191 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -45.91 -55.82 6.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.387 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.7 mtp85 -45.96 -38.21 7.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.637 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.5 mt -77.87 -35.5 50.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.495 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -71.78 -60.44 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.541 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.489 ' O ' HG13 ' A' ' 49' ' ' VAL . 11.4 p -45.21 127.43 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.621 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.515 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 32.2 t80 -155.38 72.07 0.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.495 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.515 ' CG ' ' O ' ' A' ' 50' ' ' TYR . 84.9 m-70 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.6 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 13.4 ttp . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -82.13 134.54 35.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.536 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 12.5 pt -134.9 142.99 38.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.749 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -95.55 140.09 30.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.594 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 18.0 t -122.81 106.8 18.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.268 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 7.8 tptp -81.15 134.68 35.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.561 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 23.9 p -101.35 -167.51 1.43 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.459 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.926 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.6 OUTLIER -82.7 -34.55 27.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.443 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 36.2 p -77.99 5.03 10.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.612 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 83.23 2.96 90.4 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -79.41 124.93 28.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.554 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 8.4 m -97.34 152.65 18.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.56 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 2.1 mt -136.83 126.87 39.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.536 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 5.3 m -94.45 124.59 38.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.297 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 31.1 mt -131.17 134.97 47.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.827 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -85.79 131.92 34.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.236 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 34.9 m -150.98 -164.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.923 0.392 . . . . 0.0 110.822 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.507 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 6.1 mt-10 -144.62 146.74 33.33 Favored Pre-proline 0 CA--C 1.531 0.237 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.107 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -48.11 -10.24 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.447 2.098 . . . . 0.0 112.366 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 120' ' ' SER . . . . . 0.452 ' N ' ' O ' ' B' ' 118' ' ' GLU . 1.9 p -97.17 -22.96 16.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.719 0.295 . . . . 0.0 110.834 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 121' ' ' ASP . . . . . 0.507 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 1.3 m-20 -48.86 138.08 11.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.931 0.396 . . . . 0.0 110.711 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 122' ' ' THR . . . . . 0.479 ' O ' ' N ' ' B' ' 125' ' ' ASN . 18.4 p -89.89 135.9 33.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.631 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 27.8 mm -41.44 -44.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.484 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -57.42 -38.4 74.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.228 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 125' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' B' ' 122' ' ' THR . 28.0 t-20 -64.17 -40.15 95.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.156 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 74.9 t -63.13 -50.61 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.978 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 127' ' ' LYS . . . . . 0.444 ' NZ ' ' C ' ' B' ' 141' ' ' GLN . 46.3 mttm -51.38 -41.19 60.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.189 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.38 -43.2 99.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.274 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -59.09 -39.93 83.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.244 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 8.3 mt -67.25 -32.34 57.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.174 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -67.32 -31.4 71.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.338 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 132' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' B' ' 132' ' ' ASP . 3.5 m-20 -78.92 -26.29 43.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.755 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -83.77 -64.26 1.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.667 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -83.26 -107.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.635 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -174.3 22.86 0.06 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.761 -0.935 . . . . 0.0 110.761 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.522 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 24.1 mt -101.25 107.98 52.92 Favored Pre-proline 0 C--N 1.33 -0.282 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -62.94 152.76 77.51 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 121.674 1.583 . . . . 0.0 111.853 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.509 ' C ' ' H ' ' B' ' 140' ' ' GLN . 2.8 Cg_endo -46.93 -57.57 2.22 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.571 2.181 . . . . 0.0 111.851 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -51.17 -8.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.506 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.509 ' H ' ' C ' ' B' ' 138' ' ' PRO . 54.8 mt-30 -123.9 32.28 5.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.494 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 141' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 59.4 mt-30 -129.86 168.6 16.35 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.376 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 142' ' ' ARG . . . . . 0.526 HH21 ' CG ' ' A' ' 28' ' ' ASN . 36.6 ttt85 -170.35 109.01 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.35 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 14.2 mt -93.99 132.01 38.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.771 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.6 mt -123.46 141.28 44.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.292 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 145' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' B' ' 148' ' ' LYS . 36.7 t80 -155.53 159.93 40.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.616 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 43.26 27.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 68.33 35.38 82.24 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 148' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' B' ' 145' ' ' PHE . 80.6 mttt -148.09 139.7 23.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.782 0.325 . . . . 0.0 110.685 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 149' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' B' ' 150' ' ' LEU . 10.5 tm0? -75.97 127.51 33.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.168 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.526 ' O ' ' NE2' ' B' ' 149' ' ' GLN . 15.0 mt -81.26 133.83 35.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 0.0 110.907 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -78.36 163.4 25.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.69 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.01 -28.5 32.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.975 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -95.34 43.27 2.24 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -139.67 173.59 11.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.686 0.279 . . . . 0.0 110.335 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 29.8 p -118.14 162.04 18.87 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.719 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.21 -15.68 48.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.684 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 2.8 t -81.03 -42.39 21.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.726 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -48.89 -42.38 36.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.705 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -87.12 0.88 54.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.6 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 160' ' ' ASN . . . . . 0.516 ' O ' ' NE2' ' B' ' 162' ' ' GLN . 21.8 m-20 60.81 41.72 14.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.677 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 76.7 mt -82.72 101.84 7.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.395 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 162' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' B' ' 160' ' ' ASN . 4.4 mp0 -78.67 -172.0 2.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.667 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -72.03 161.42 30.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.793 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 57.51 33.9 23.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.969 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 65.4 m -90.49 136.27 33.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.489 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 9.1 m -93.47 103.63 15.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.605 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 11.2 mt -91.82 126.49 36.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.471 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 168' ' ' HIS . . . . . 0.665 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -81.89 112.34 18.91 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.553 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 169' ' ' LEU . . . . . 0.799 ' C ' HD13 ' B' ' 169' ' ' LEU . 2.6 tm? -88.7 132.32 34.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.019 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 170' ' ' VAL . . . . . 0.693 ' N ' HD13 ' B' ' 169' ' ' LEU . 2.1 t -143.78 138.16 25.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.713 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.6 ' N ' HD12 ' B' ' 171' ' ' LEU . 7.8 mp -77.24 158.52 30.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.531 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -109.56 70.94 0.75 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.262 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 13.9 mt -40.36 104.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.748 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 174' ' ' ARG . . . . . 0.473 ' CZ ' ' CB ' ' B' ' 174' ' ' ARG . 11.6 ttm105 -58.9 152.87 18.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 175' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' B' ' 176' ' ' GLY . . . -151.15 -47.35 0.02 OUTLIER Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 176' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' B' ' 175' ' ' GLY . . . . . . . . 0 CA--C 1.526 0.722 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 201' ' ' MET . . . . . 0.54 ' N ' ' O ' ' C' ' 217' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 202' ' ' GLN . . . . . 0.417 ' O ' ' OE1' ' C' ' 264' ' ' GLU . 86.6 mt-30 -118.09 112.41 20.17 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.436 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 11.8 pt -100.54 161.26 3.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.825 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -105.05 154.95 19.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.13 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 65.4 t -139.8 108.45 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.219 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 50.3 mttm -97.33 133.17 42.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.985 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 30.3 p -93.96 -148.51 0.26 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.362 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 208' ' ' LEU . . . . . 0.932 HD22 ' H ' ' C' ' 208' ' ' LEU . 0.5 OUTLIER -83.46 -47.62 11.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.313 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 5.9 p -74.03 20.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.511 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 210' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' C' ' 208' ' ' LEU . . . 65.47 22.15 69.29 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -76.97 109.83 11.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.725 0.298 . . . . 0.0 110.594 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 9.3 m -90.73 145.53 24.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.649 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 213' ' ' ILE . . . . . 0.404 HG21 HD13 ' C' ' 213' ' ' ILE . 2.7 mt -137.58 128.06 37.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.661 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 5.4 m -91.41 117.39 29.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.08 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 23.9 mt -119.36 131.09 55.64 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.893 0.378 . . . . 0.0 111.098 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -84.13 115.63 22.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.913 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 217' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' C' ' 201' ' ' MET . 4.6 m -145.76 177.59 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.854 0.359 . . . . 0.0 111.165 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 218' ' ' GLU . . . . . 0.591 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 62.8 mt-10 -131.26 152.76 81.13 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.955 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.19 -25.89 2.1 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.714 2.276 . . . . 0.0 112.613 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 2.4 p -81.68 -26.14 34.93 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.136 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 221' ' ' ASP . . . . . 0.591 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 1.1 m-20 -44.96 137.8 3.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.962 0.41 . . . . 0.0 110.825 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 222' ' ' THR . . . . . 0.461 ' O ' ' N ' ' C' ' 225' ' ' ASN . 18.2 p -91.25 136.5 33.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.463 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 20.9 mm -41.54 -48.66 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.523 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -53.78 -36.56 62.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.275 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 225' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' C' ' 222' ' ' THR . 32.6 t-20 -65.23 -41.01 94.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.12 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 13.7 t -63.09 -44.51 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.088 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -56.93 -39.08 73.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.123 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.71 -45.01 91.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.248 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -56.74 -51.33 69.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.269 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 73.3 mt -56.16 -45.12 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.223 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.75 -26.14 44.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.083 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -76.66 -39.0 53.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.336 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -72.18 -63.67 1.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.283 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -80.89 -115.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.589 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -167.54 10.87 0.06 OUTLIER Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 236' ' ' ILE . . . . . 0.498 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 40.4 mt -79.55 116.24 59.26 Favored Pre-proline 0 C--N 1.329 -0.324 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.26 152.12 74.38 Favored 'Trans proline' 0 C--N 1.314 -1.263 0 C-N-CA 121.468 1.445 . . . . 0.0 111.478 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -47.49 -60.89 0.71 Allowed 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.427 2.085 . . . . 0.0 111.97 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 239' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' C' ' 239' ' ' ASP . 9.9 t70 -47.36 -22.37 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.796 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -104.48 34.04 3.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.764 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 241' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 67.7 mt-30 -134.51 144.69 48.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.583 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 242' ' ' ARG . . . . . 0.778 HH12 ' ND2' ' D' ' 328' ' ' ASN . 19.5 ttm180 -150.47 122.98 8.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.283 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 243' ' ' LEU . . . . . 0.564 HD22 HD23 ' C' ' 267' ' ' LEU . 76.7 mt -101.0 130.55 47.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.074 0.464 . . . . 0.0 110.997 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.6 mt -128.62 126.28 64.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.208 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 245' ' ' PHE . . . . . 0.533 ' CZ ' ' OD2' ' A' ' 25' ' ' ASP . 63.2 t80 -110.89 74.19 0.86 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.654 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 246' ' ' ALA . . . . . 0.483 ' C ' ' H ' ' C' ' 248' ' ' LYS . . . 66.04 69.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.847 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 247' ' ' GLY . . . . . 0.563 ' H ' ' HB3' ' D' ' 331' ' ' CYS . . . 73.55 -23.07 1.02 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 248' ' ' LYS . . . . . 0.483 ' H ' ' C ' ' C' ' 246' ' ' ALA . 87.7 mttt -81.99 90.74 6.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.737 0.303 . . . . 0.0 110.62 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -68.25 128.35 36.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.063 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 8.5 mt -89.29 134.21 34.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 0.0 110.845 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -82.6 159.97 22.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.544 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.72 -18.63 58.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.968 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -107.04 43.09 1.76 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 21.7 mmt-85 -139.81 175.43 9.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.634 0.254 . . . . 0.0 110.344 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 255' ' ' THR . . . . . 0.411 ' C ' ' H ' ' C' ' 257' ' ' SER . 26.6 p -119.43 163.37 17.34 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.736 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 256' ' ' LEU . . . . . 0.419 ' CD1' HG21 ' C' ' 217' ' ' VAL . 95.8 mt -66.21 1.18 1.64 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.689 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 257' ' ' SER . . . . . 0.492 ' C ' ' H ' ' C' ' 259' ' ' TYR . 29.6 t -96.41 -33.49 11.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.623 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.75 17.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.595 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 259' ' ' TYR . . . . . 0.492 ' H ' ' C ' ' C' ' 257' ' ' SER . 68.9 m-85 -140.63 2.77 1.83 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.55 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 62.03 24.99 14.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.786 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 86.8 mt -75.92 111.32 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.362 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -86.65 -157.45 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.705 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -85.75 157.97 20.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.735 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 264' ' ' GLU . . . . . 0.417 ' OE1' ' O ' ' C' ' 202' ' ' GLN . 8.1 mm-40 56.66 25.75 10.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.846 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 16.0 m -79.01 136.83 37.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.386 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 5.0 m -83.42 108.52 16.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.707 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 267' ' ' LEU . . . . . 0.564 HD23 HD22 ' C' ' 243' ' ' LEU . 1.3 mp -98.39 125.23 43.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.262 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 268' ' ' HIS . . . . . 0.642 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -85.7 109.93 18.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.473 -179.873 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 62.8 tp -87.8 143.97 26.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.714 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 270' ' ' VAL . . . . . 0.48 HG22 HD13 ' D' ' 336' ' ' LEU . 2.0 t -145.27 137.59 20.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.361 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 271' ' ' LEU . . . . . 0.762 ' N ' HD12 ' C' ' 271' ' ' LEU . 6.4 mp -85.87 112.46 21.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.498 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 272' ' ' ARG . . . . . 0.574 ' NH1' ' NH2' ' C' ' 242' ' ' ARG . 40.6 mtp180 -62.97 120.13 10.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.619 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 273' ' ' LEU . . . . . 0.4 HD13 ' CD1' ' D' ' 343' ' ' PHE . 12.4 mt -89.9 74.77 7.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.508 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 22.2 ttt85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.568 179.932 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.794 0.331 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -80.85 92.86 6.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.621 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 15.8 mt -99.57 43.66 1.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.532 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 99.3 p -84.42 -0.16 51.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.668 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -138.77 69.79 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.661 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -130.03 175.23 9.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.384 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 319' ' ' LYS . . . . . 0.515 ' N ' ' OE1' ' D' ' 322' ' ' GLU . 33.3 mttp -128.19 170.09 13.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.756 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 320' ' ' TYR . . . . . 0.489 ' C ' ' CD1' ' D' ' 320' ' ' TYR . 8.0 t80 -62.01 -46.67 88.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.541 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -61.82 -48.01 82.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 322' ' ' GLU . . . . . 0.515 ' OE1' ' N ' ' D' ' 319' ' ' LYS . 73.3 mt-10 -56.44 -55.92 27.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 323' ' ' LEU . . . . . 0.568 HD21 ' CD ' ' D' ' 342' ' ' GLU . 15.3 mt -59.02 -59.64 5.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.65 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 324' ' ' ARG . . . . . 0.423 ' NH2' HH21 ' C' ' 272' ' ' ARG . 16.2 tpt85 -53.09 -49.62 66.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.699 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 325' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' D' ' 329' ' ' THR . 32.0 t70 -62.03 -47.17 85.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.68 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 326' ' ' THR . . . . . 0.536 ' O ' ' N ' ' D' ' 330' ' ' SER . 54.5 m -55.54 -47.18 76.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.404 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 327' ' ' ILE . . . . . 0.473 HG23 HD22 ' D' ' 336' ' ' LEU . 85.2 mt -67.04 -31.98 55.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.43 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 328' ' ' ASN . . . . . 0.778 ' ND2' HH12 ' C' ' 242' ' ' ARG . 2.9 m-20 -88.31 -14.05 39.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.518 ' N ' ' O ' ' D' ' 325' ' ' ASP . 57.4 p -113.77 -13.42 12.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.93 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 330' ' ' SER . . . . . 0.536 ' N ' ' O ' ' D' ' 326' ' ' THR . 4.4 t -112.41 -176.58 2.95 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.043 0.449 . . . . 0.0 110.877 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 331' ' ' CYS . . . . . 0.563 ' HB3' ' H ' ' C' ' 247' ' ' GLY . 9.7 p -152.02 7.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.172 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -69.97 92.34 0.72 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.412 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 333' ' ' ILE . . . . . 0.697 ' HA ' HD12 ' D' ' 336' ' ' LEU . 2.1 mt -38.55 -41.86 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.668 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -54.76 -54.3 43.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.112 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 335' ' ' LEU . . . . . 0.45 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 8.5 mt -61.39 -42.16 98.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.023 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 336' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' D' ' 333' ' ' ILE . 84.0 mt -53.46 -44.51 68.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.434 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -68.05 -49.41 61.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.471 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -60.38 -43.9 96.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.251 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 339' ' ' CYS . . . . . 0.45 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 76.9 m -63.04 -53.44 53.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.155 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 340' ' ' ARG . . . . . 0.506 ' O ' ' CD2' ' D' ' 344' ' ' HIS . 22.2 mtp85 -51.88 -38.35 55.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.221 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -63.78 -60.04 3.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.612 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 342' ' ' GLU . . . . . 0.568 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.3 pt-20 -62.09 -36.48 81.83 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.433 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 343' ' ' PHE . . . . . 0.4 ' CD1' HD13 ' C' ' 273' ' ' LEU . 11.3 t80 -60.71 -42.06 96.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.139 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 344' ' ' HIS . . . . . 0.506 ' CD2' ' O ' ' D' ' 340' ' ' ARG . 31.2 m170 -66.43 -50.18 64.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.056 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -50.01 -46.46 52.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.257 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 12.2 mtp85 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.626 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 . . . . . 0 N--CA 1.462 0.143 0 CA-C-O 120.796 0.332 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -113.11 92.91 4.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.663 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.4 mt -95.79 45.26 1.08 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.369 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.7 m -79.93 18.37 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.726 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -170.91 84.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.605 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -134.01 174.16 10.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.365 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.3 mttp -122.38 165.02 16.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.669 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.426 ' OH ' ' N ' ' B' ' 176' ' ' GLY . 18.7 t80 -63.27 -49.48 73.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.433 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.43 -36.22 81.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.662 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -66.41 -55.21 16.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.667 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.572 HD21 ' CD ' ' A' ' 42' ' ' GLU . 15.9 mt -55.27 -56.3 21.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.478 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.76 HH12 HH22 ' B' ' 142' ' ' ARG . 14.9 tpt85 -53.87 -53.36 53.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.472 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' A' ' 29' ' ' THR . 9.4 t70 -52.96 -51.15 62.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.435 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.577 ' O ' ' N ' ' A' ' 30' ' ' SER . 24.1 m -50.84 -50.33 56.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.671 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.7 mt -67.5 -22.77 29.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.491 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -101.73 0.41 35.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.248 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 25' ' ' ASP . 50.5 p -140.06 -1.53 1.56 Allowed 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.909 -0.317 . . . . 0.0 111.29 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.577 ' N ' ' O ' ' A' ' 26' ' ' THR . 2.0 t -119.72 157.15 29.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.021 0.439 . . . . 0.0 111.076 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.501 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 26.9 p -134.52 85.98 2.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.383 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -158.89 97.62 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.538 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.421 HG13 ' H ' ' A' ' 33' ' ' ILE . 1.9 mt -39.31 -42.39 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.863 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -56.41 -59.01 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.315 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 24.7 mt -58.88 -50.15 75.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.086 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.403 HD13 ' CG2' ' B' ' 170' ' ' VAL . 36.3 mt -50.41 -45.32 55.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.456 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.14 -48.95 77.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.386 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.89 -46.02 91.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.321 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 78.5 m -57.47 -53.52 57.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.283 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.2 mtp85 -55.63 -42.63 75.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.464 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -55.79 -62.86 1.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.658 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.572 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.9 pt-20 -59.57 -40.59 87.85 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.428 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.436 ' CD1' HD13 ' B' ' 173' ' ' LEU . 13.1 t80 -52.53 -42.66 64.56 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.027 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -69.99 -45.51 67.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.239 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -48.22 -52.94 18.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.488 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -46.88 -35.33 6.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.198 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 16.1 mt -86.07 -39.38 16.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.581 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -62.75 -60.51 3.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.558 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 50' ' ' TYR . 3.5 t 61.44 -123.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.373 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.403 ' N ' HG12 ' A' ' 49' ' ' VAL . 69.4 m-85 -137.6 82.67 1.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.497 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 64.1 m170 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.555 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.454 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 102' ' ' GLN . . . . . 0.535 ' N ' ' OE1' ' B' ' 102' ' ' GLN . 1.3 mp0 -81.13 108.97 15.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.547 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 11.2 pt -108.53 146.16 14.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.454 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -98.88 147.24 25.15 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.799 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 5.0 t -137.7 108.85 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.429 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 106' ' ' LYS . . . . . 0.428 ' HZ3' ' CG2' ' B' ' 166' ' ' THR . 22.8 mtmm -89.56 134.61 34.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.634 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 74.6 p -93.28 -162.04 0.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.274 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.646 HD22 ' N ' ' B' ' 108' ' ' LEU . 3.2 mm? -71.88 -52.84 15.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.499 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 109' ' ' THR . . . . . 0.42 ' H ' HG23 ' B' ' 109' ' ' THR . 6.0 p -62.99 -16.95 61.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.575 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.86 25.94 7.34 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -84.44 117.61 23.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.812 0.339 . . . . 0.0 110.515 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 6.5 m -91.24 135.23 33.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.676 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 2.2 mt -123.44 125.72 72.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.531 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 24.0 m -95.15 103.39 15.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.052 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 28.4 mt -114.69 135.65 53.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.975 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.603 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 4.2 mp0 -85.91 128.43 34.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.124 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 117' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' B' ' 101' ' ' MET . 15.8 m -147.05 -162.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.04 0.447 . . . . 0.0 110.973 -179.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -143.43 171.05 7.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.653 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -74.51 -6.84 18.85 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 C-N-CA 122.294 1.996 . . . . 0.0 112.318 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 2.4 p -104.92 -4.16 22.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.515 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -68.26 136.38 53.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.473 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 4.7 p -86.08 140.21 30.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.904 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 25.0 mm -45.97 -51.98 3.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.281 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -47.86 -40.85 22.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.242 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 125' ' ' ASN . . . . . 0.453 ' O ' ' HB3' ' B' ' 128' ' ' ALA . 30.1 t-20 -61.65 -46.03 91.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.072 179.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 42.3 t -56.48 -45.77 82.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.958 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -56.73 -33.36 66.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.975 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 128' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' B' ' 125' ' ' ASN . . . -64.96 -55.27 20.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.167 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.421 ' NZ ' ' OD1' ' B' ' 125' ' ' ASN . 48.9 mttp -51.56 -48.56 63.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.188 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 49.8 mt -55.99 -45.29 80.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.155 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -54.86 -30.14 57.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.996 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -72.47 -40.47 66.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.517 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -71.99 -65.95 0.7 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.394 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -77.67 -108.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.606 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 135' ' ' GLY . . . . . 0.407 ' H ' ' H ' ' B' ' 136' ' ' ILE . . . 176.62 16.48 0.02 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.456 ' O ' ' OE1' ' B' ' 141' ' ' GLN . 30.1 mt -81.72 128.45 69.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -57.75 144.96 92.16 Favored 'Trans proline' 0 C--N 1.313 -1.297 0 C-N-CA 121.531 1.487 . . . . 0.0 111.639 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -52.38 -29.99 41.41 Favored 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 122.171 1.914 . . . . 0.0 111.804 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 139' ' ' ASP . . . . . 0.455 ' C ' ' H ' ' B' ' 141' ' ' GLN . 0.7 OUTLIER -71.01 -56.15 6.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.612 -179.845 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.427 ' OE1' ' O ' ' B' ' 172' ' ' ARG . 13.4 mm100 -71.44 41.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.598 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 141' ' ' GLN . . . . . 0.456 ' OE1' ' O ' ' B' ' 136' ' ' ILE . 35.8 mt-30 -134.36 160.03 39.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.586 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 142' ' ' ARG . . . . . 0.76 HH22 HH12 ' A' ' 24' ' ' ARG . 11.3 ttm180 -170.34 151.97 3.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.754 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.3 mt -130.77 138.25 49.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.135 0.493 . . . . 0.0 111.218 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 2.0 mt -130.2 137.18 57.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.903 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 145' ' ' PHE . . . . . 0.472 ' O ' ' N ' ' B' ' 148' ' ' LYS . 64.8 t80 -153.69 161.17 42.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.668 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 39.99 29.45 0.05 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.684 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 147' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' B' ' 145' ' ' PHE . . . 66.64 42.7 93.22 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 148' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' B' ' 145' ' ' PHE . 86.2 mttt -150.8 137.47 18.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.618 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -81.7 127.32 32.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.19 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 10.1 mt -83.08 133.32 35.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 110.69 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -80.07 159.98 25.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.572 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.9 -4.17 55.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.758 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -120.61 40.49 2.15 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -139.56 171.32 14.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.637 0.256 . . . . 0.0 110.326 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 3.8 p -110.73 163.27 13.93 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.907 0.384 . . . . 0.0 110.77 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.44 -16.2 61.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.763 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 157' ' ' SER . . . . . 0.5 ' C ' ' H ' ' B' ' 159' ' ' TYR . 2.5 t -78.07 -34.2 50.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.687 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -72.53 17.8 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.618 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 159' ' ' TYR . . . . . 0.5 ' H ' ' C ' ' B' ' 157' ' ' SER . 59.8 m-85 -140.58 1.62 1.75 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.536 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 60.6 t30 62.66 26.62 15.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.752 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 83.0 mt -79.53 100.02 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.454 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -83.82 -157.35 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.747 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 7.3 ptp85 -82.48 161.56 22.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.736 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 57.17 15.63 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.633 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 35.1 m -81.25 136.35 35.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 166' ' ' THR . . . . . 0.428 ' CG2' ' HZ3' ' B' ' 106' ' ' LYS . 3.1 m -87.04 155.35 20.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.453 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 167' ' ' LEU . . . . . 0.467 HD23 ' HB2' ' B' ' 145' ' ' PHE . 11.0 mt -139.79 124.27 18.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.598 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 168' ' ' HIS . . . . . 0.654 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.2 OUTLIER -83.77 105.65 14.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.177 179.761 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 169' ' ' LEU . . . . . 0.8 HD23 ' N ' ' B' ' 170' ' ' VAL . 5.8 tt -85.7 131.54 34.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.164 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 170' ' ' VAL . . . . . 0.8 ' N ' HD23 ' B' ' 169' ' ' LEU . 3.0 t -127.57 140.84 48.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.311 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.562 ' N ' HD12 ' B' ' 171' ' ' LEU . 8.6 mp -80.97 106.45 12.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.512 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 172' ' ' ARG . . . . . 0.616 ' NH1' ' NH2' ' A' ' 24' ' ' ARG . 46.8 ttt85 -60.66 110.21 1.24 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.519 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 173' ' ' LEU . . . . . 0.436 HD13 ' CD1' ' A' ' 43' ' ' PHE . 27.6 mt -78.07 142.24 38.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.535 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -81.3 128.77 34.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.566 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 161.79 167.0 21.6 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 176' ' ' GLY . . . . . 0.426 ' N ' ' OH ' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.526 0.755 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 201' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -95.92 115.39 27.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.694 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 17.6 pt -106.73 147.53 11.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.564 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -96.88 146.47 24.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.651 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 44.9 t -134.55 106.8 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.323 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -93.79 134.28 36.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 48.8 p -91.32 -169.56 2.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.424 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 208' ' ' LEU . . . . . 0.959 HD22 ' H ' ' C' ' 208' ' ' LEU . 0.4 OUTLIER -85.64 22.53 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.512 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 11.7 p -136.5 1.51 2.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.524 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 89.85 8.92 66.7 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -80.04 112.66 17.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.727 0.299 . . . . 0.0 110.556 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 15.2 m -95.04 143.27 26.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.704 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 1.4 mt -133.69 124.64 48.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.446 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 30.5 m -90.92 111.84 23.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.314 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 16.8 mt -116.91 128.73 55.51 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.944 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -81.02 122.22 27.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.13 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 217' ' ' VAL . . . . . . . . . . . . . 11.0 m -146.89 -169.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.007 0.432 . . . . 0.0 110.985 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 218' ' ' GLU . . . . . 0.524 ' N ' ' OD2' ' C' ' 221' ' ' ASP . 43.2 mt-10 -147.44 153.73 44.31 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.97 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.68 -48.59 10.27 Favored 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.832 2.355 . . . . 0.0 112.595 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 2.4 p -59.48 -36.14 75.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.38 -179.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 221' ' ' ASP . . . . . 0.524 ' OD2' ' N ' ' C' ' 218' ' ' GLU . 6.2 m-20 -41.8 138.28 1.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.014 0.435 . . . . 0.0 110.908 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 19.1 p -90.3 138.31 31.64 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.626 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 20.3 mm -43.78 -55.76 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.577 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -45.84 -43.15 13.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.31 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 225' ' ' ASN . . . . . 0.482 ' O ' ' HB3' ' C' ' 228' ' ' ALA . 30.4 t-20 -59.16 -46.07 89.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.416 . . . . 0.0 109.891 179.575 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 36.7 t -55.81 -47.44 79.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 227' ' ' LYS . . . . . 0.443 ' O ' ' OE1' ' C' ' 241' ' ' GLN . 80.3 mttt -53.82 -33.79 57.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.857 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 228' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' C' ' 225' ' ' ASN . . . -66.78 -41.19 88.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.151 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 48.5 mttm -62.18 -42.04 98.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.385 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 44.7 mt -65.25 -46.83 89.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.34 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 231' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' C' ' 231' ' ' GLN . 0.9 OUTLIER -55.75 -30.72 61.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.356 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 232' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' C' ' 228' ' ' ALA . 22.8 m-20 -76.21 -28.04 57.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.374 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 24.5 mmtm -78.55 -62.2 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.416 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -82.94 -79.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.5 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 235' ' ' GLY . . . . . 0.411 ' H ' ' H ' ' C' ' 236' ' ' ILE . . . 153.74 9.11 0.08 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 236' ' ' ILE . . . . . 0.527 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 47.6 mt -82.48 129.58 62.41 Favored Pre-proline 0 C--N 1.329 -0.299 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -56.12 149.84 51.44 Favored 'Trans proline' 0 N--CA 1.49 1.274 0 C-N-CA 121.568 1.512 . . . . 0.0 111.567 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 238' ' ' PRO . . . . . 0.512 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.5 Cg_endo -50.32 -68.11 0.09 OUTLIER 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.319 2.013 . . . . 0.0 112.146 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -39.01 -31.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.285 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -89.19 29.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.9 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 241' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 87.3 mt-30 -134.89 95.84 3.41 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.765 0.316 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 242' ' ' ARG . . . . . . . . . . . . . 31.5 ttt85 -100.95 120.84 40.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.103 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 12.5 mt -96.33 133.5 40.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.116 0.484 . . . . 0.0 111.224 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 244' ' ' ILE . . . . . 0.419 HG21 ' SG ' ' D' ' 331' ' ' CYS . 1.7 mt -130.1 117.65 41.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.883 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 245' ' ' PHE . . . . . 0.524 ' CZ ' ' OD2' ' A' ' 25' ' ' ASP . 46.5 t80 -100.52 76.34 1.83 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.878 0.371 . . . . 0.0 111.099 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 50.6 88.71 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.151 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 247' ' ' GLY . . . . . . . . . . . . . . . 58.31 36.31 82.72 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.531 -0.627 . . . . 0.0 111.531 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -151.02 89.54 1.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.718 0.294 . . . . 0.0 110.847 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.19 117.21 11.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.009 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 10.9 mt -77.45 141.21 39.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.967 0.413 . . . . 0.0 111.12 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -83.99 160.24 21.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.398 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.95 -3.31 59.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.714 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -123.02 39.38 2.25 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 62.1 mmt-85 -139.41 175.54 9.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.676 0.274 . . . . 0.0 110.356 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 8.8 p -112.64 156.24 23.07 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.885 0.374 . . . . 0.0 110.815 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.12 -5.6 1.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.572 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 257' ' ' SER . . . . . . . . . . . . . 8.3 t -85.38 -40.77 16.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.693 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -51.9 -33.99 39.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.745 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -96.46 10.54 37.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.715 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 50.77 39.68 22.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 69.1 mt -82.33 105.12 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.383 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -82.78 -156.83 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -83.93 161.67 20.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 55.58 29.05 12.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.721 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 37.9 m -83.17 131.99 35.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.573 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 9.1 m -87.92 112.38 22.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.495 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 11.3 mt -107.27 132.95 52.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.561 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 268' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -90.79 110.22 21.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.404 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 30.8 tp -86.18 139.2 31.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 270' ' ' VAL . . . . . 0.597 ' CG1' ' CZ ' ' D' ' 340' ' ' ARG . 12.1 t -134.27 145.29 33.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.231 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 271' ' ' LEU . . . . . . . . . . . . . 7.9 mt -87.27 97.28 10.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.538 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -62.48 101.87 0.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.54 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 273' ' ' LEU . . . . . . . . . . . . . 12.6 mt -78.23 151.06 33.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.53 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.504 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.874 0.368 . . . . 0.0 110.463 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 314' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' D' ' 314' ' ' ASP . 0.5 OUTLIER -84.45 92.99 8.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.624 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 10.6 mt -95.79 44.98 1.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.457 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 59.0 p -82.98 18.44 1.64 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.787 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.75 84.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.66 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -133.83 -178.29 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.281 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -125.28 160.55 28.99 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.563 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -58.37 -51.37 70.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.578 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -63.14 -45.09 93.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.748 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -57.49 -43.45 84.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.68 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 323' ' ' LEU . . . . . 0.556 HD21 ' CD ' ' D' ' 342' ' ' GLU . 14.6 mt -67.63 -55.39 13.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.512 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 324' ' ' ARG . . . . . . . . . . . . . 9.9 ttt-85 -57.12 -53.39 58.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.605 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 325' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' D' ' 329' ' ' THR . 8.0 t70 -53.37 -50.98 63.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.343 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 326' ' ' THR . . . . . 0.581 ' O ' ' N ' ' D' ' 330' ' ' SER . 63.7 m -53.92 -47.84 70.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.289 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 327' ' ' ILE . . . . . 0.719 HD13 ' NH1' ' D' ' 340' ' ' ARG . 57.9 mt -67.57 -31.43 52.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.445 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 328' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -88.82 -4.42 58.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.723 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.451 ' N ' ' O ' ' D' ' 325' ' ' ASP . 71.0 p -126.75 -10.26 6.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.198 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 330' ' ' SER . . . . . 0.581 ' N ' ' O ' ' D' ' 326' ' ' THR . 13.7 t -104.94 173.51 6.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.054 0.454 . . . . 0.0 111.14 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 331' ' ' CYS . . . . . 0.419 ' SG ' HG21 ' C' ' 244' ' ' ILE . 96.9 m -150.1 34.12 0.66 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.447 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 332' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' D' ' 333' ' ' ILE . 0.9 OUTLIER -110.11 101.83 10.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.651 -179.818 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 333' ' ' ILE . . . . . 0.742 ' H ' HD12 ' D' ' 333' ' ' ILE . 0.7 OUTLIER -38.96 -44.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.474 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -53.43 -57.03 12.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.041 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 335' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' D' ' 335' ' ' LEU . 18.6 mt -59.85 -47.01 87.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.939 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 336' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' D' ' 333' ' ' ILE . 23.5 mt -54.67 -46.64 74.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.449 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -64.07 -49.15 73.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.456 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -56.87 -43.37 81.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.338 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 339' ' ' CYS . . . . . 0.558 ' HB3' HD11 ' D' ' 327' ' ' ILE . 61.6 m -63.08 -53.59 51.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.197 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 340' ' ' ARG . . . . . 0.719 ' NH1' HD13 ' D' ' 327' ' ' ILE . 0.8 OUTLIER -56.7 -31.32 64.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.265 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -67.27 -53.68 27.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.304 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 342' ' ' GLU . . . . . 0.556 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.7 pt-20 -67.95 -37.76 81.99 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.706 -0.397 . . . . 0.0 110.49 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -62.18 -44.95 95.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 344' ' ' HIS . . . . . 0.456 ' CG ' ' O ' ' D' ' 340' ' ' ARG . 30.8 m170 -64.71 -54.68 27.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.266 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -47.18 -56.3 6.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.432 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 69.4 mtt-85 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.716 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.52 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 3.3 m-85 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.726 0.298 . . . . 0.0 110.537 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -80.9 92.88 6.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.57 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.0 mt -97.35 43.42 1.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.466 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.7 t -82.33 2.71 30.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.692 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -147.68 73.81 1.29 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.692 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -131.12 159.42 37.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.341 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -105.49 168.28 9.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.74 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -66.21 -47.31 74.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.464 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.85 -36.38 79.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.681 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -67.58 -55.33 13.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.621 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.59 HD21 ' CD ' ' A' ' 42' ' ' GLU . 16.0 mt -56.6 -56.76 17.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.549 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -54.81 -53.41 55.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.509 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.434 ' O ' ' OG1' ' A' ' 29' ' ' THR . 5.6 t70 -54.63 -50.23 68.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.566 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 30' ' ' SER . 25.6 m -53.59 -40.99 66.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.669 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.1 mt -76.43 -25.04 16.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.67 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.513 ' ND2' HH21 ' B' ' 142' ' ' ARG . 2.4 m-20 -91.03 -8.33 49.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.945 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.48 HG21 ' HB2' ' C' ' 246' ' ' ALA . 16.9 p -126.74 -44.46 1.66 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.01 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.5 OUTLIER -76.61 150.09 36.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.019 0.437 . . . . 0.0 111.064 -179.495 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.609 ' SG ' ' CG ' ' B' ' 168' ' ' HIS . 13.5 t -124.92 31.5 5.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.29 94.19 9.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.515 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.497 ' HA ' HD12 ' A' ' 36' ' ' LEU . 2.6 mt -39.46 -40.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.855 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -57.43 -59.04 5.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.417 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.456 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 11.9 mt -58.78 -46.13 88.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.192 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.499 HD13 ' CG2' ' B' ' 170' ' ' VAL . 82.9 mt -50.69 -43.71 57.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.451 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.56 -49.31 66.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.23 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.66 -41.29 90.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.222 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 70.8 m -61.22 -53.5 56.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.152 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.423 ' HE ' ' HB2' ' B' ' 171' ' ' LEU . 17.4 mtp-105 -52.54 -42.31 64.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.183 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -59.1 -62.87 1.56 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.729 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.59 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.9 pt-20 -59.73 -42.01 92.17 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.457 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.497 ' CD1' HD13 ' B' ' 173' ' ' LEU . 21.4 t80 -53.49 -41.41 66.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.065 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.42 ' CD2' ' O ' ' A' ' 40' ' ' ARG . 16.2 m170 -69.27 -44.33 72.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.165 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 49' ' ' VAL . 48.1 mtp180 -51.34 -52.52 44.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.456 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.452 ' O ' HG12 ' A' ' 49' ' ' VAL . 1.3 mpt_? -46.01 -32.02 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.237 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.4 mt -89.16 -37.06 15.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.496 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -89.64 10.65 22.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.6 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.853 HG22 ' H ' ' A' ' 50' ' ' TYR . 8.1 p -74.02 179.65 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.387 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.853 ' H ' HG22 ' A' ' 49' ' ' VAL . 8.1 t80 -64.98 -141.55 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.409 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 . . . . . 0 C--N 1.324 -0.521 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.639 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 2.1 ptt? . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -100.65 117.5 34.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.581 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 23.4 pt -103.88 149.74 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.609 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -102.27 133.04 47.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.586 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 97.2 t -119.28 113.46 41.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.315 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -98.25 132.45 43.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.768 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 107' ' ' THR . . . . . 0.456 ' O ' ' N ' ' B' ' 110' ' ' GLY . 24.5 p -99.56 -179.81 4.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.32 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 1.062 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.4 OUTLIER -42.81 -66.9 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.531 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 36.8 p -56.41 -5.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.539 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 110' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' B' ' 108' ' ' LEU . . . 89.64 3.61 74.21 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -52.03 112.64 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.746 0.307 . . . . 0.0 110.402 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.1 m -87.77 146.29 25.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.668 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 2.9 mt -140.73 127.92 22.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.556 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 8.5 m -91.88 112.33 24.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.258 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 20.8 mt -116.29 126.67 53.88 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.873 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -78.12 117.78 19.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.154 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 7.6 m -146.47 168.54 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.949 0.404 . . . . 0.0 110.991 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.524 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 1.5 mt-10 -111.44 177.51 1.19 Allowed Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.586 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -74.76 -28.29 9.76 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.375 2.05 . . . . 0.0 112.006 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 3.9 t -84.91 -12.91 52.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.663 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 121' ' ' ASP . . . . . 0.524 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 50.7 m-20 -54.42 135.74 44.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.53 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 15.4 p -86.55 140.14 30.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 5.2 mm -46.72 -41.21 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.11 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.15 -40.55 74.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.0 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 125' ' ' ASN . . . . . 0.446 ' O ' ' HB3' ' B' ' 128' ' ' ALA . 32.1 t-20 -62.36 -40.88 97.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.798 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 19.1 t -60.72 -53.07 54.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.928 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 39.9 mttp -49.99 -34.45 21.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.777 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 128' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' B' ' 125' ' ' ASN . . . -66.0 -43.16 88.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.138 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -59.93 -40.18 88.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.319 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 4.8 mt -66.87 -47.96 81.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.359 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -55.71 -24.55 35.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.282 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 132' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' B' ' 128' ' ' ALA . 1.0 OUTLIER -83.52 -27.7 29.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.565 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -83.78 -65.89 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.667 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -81.21 -106.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.65 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -175.83 18.85 0.04 OUTLIER Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.43 ' O ' ' OE1' ' B' ' 141' ' ' GLN . 36.7 mt -91.78 112.51 54.97 Favored Pre-proline 0 CA--C 1.532 0.258 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -63.92 152.72 79.53 Favored 'Trans proline' 0 C--N 1.314 -1.268 0 C-N-CA 121.484 1.456 . . . . 0.0 111.761 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.9 Cg_endo -47.82 -62.63 0.41 Allowed 'Trans proline' 0 C--N 1.309 -1.552 0 C-N-CA 122.497 2.131 . . . . 0.0 111.892 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -43.45 -23.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.69 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.416 ' N ' ' C ' ' B' ' 138' ' ' PRO . 80.0 mt-30 -105.66 34.87 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.546 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 141' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' B' ' 138' ' ' PRO . 33.5 mt-30 -134.37 163.98 28.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.56 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 142' ' ' ARG . . . . . 0.614 ' NH1' ' NE2' ' B' ' 149' ' ' GLN . 25.2 ttt85 -170.32 104.59 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.162 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 13.1 mt -87.39 128.09 35.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.07 0.462 . . . . 0.0 110.903 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 144' ' ' ILE . . . . . 0.516 HG22 ' SG ' ' A' ' 31' ' ' CYS . 1.7 mt -123.05 142.4 39.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.084 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 145' ' ' PHE . . . . . 0.417 ' O ' ' HB3' ' B' ' 146' ' ' ALA . 66.2 t80 -146.39 104.4 3.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.815 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 146' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' B' ' 145' ' ' PHE . . . 65.7 72.65 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 38.64 43.14 1.56 Allowed Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -148.57 119.36 7.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.884 0.373 . . . . 0.0 110.535 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 149' ' ' GLN . . . . . 0.614 ' NE2' ' NH1' ' B' ' 142' ' ' ARG . 24.5 tt0 -80.23 124.85 29.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.317 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 14.5 mt -79.42 128.48 33.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.661 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -75.4 162.01 28.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.644 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.22 -34.11 49.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.707 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -88.86 41.29 3.04 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -139.68 146.89 40.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.756 0.312 . . . . 0.0 110.468 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 155' ' ' THR . . . . . 0.416 ' C ' ' H ' ' B' ' 157' ' ' SER . 15.8 p -94.81 164.43 12.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.881 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 79.8 mt -66.6 2.15 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.64 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 157' ' ' SER . . . . . 0.416 ' H ' ' C ' ' B' ' 155' ' ' THR . 85.4 p -96.46 -27.57 14.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.521 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -78.54 15.28 1.04 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.567 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -140.57 5.49 2.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.534 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 60.98 25.91 15.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.698 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 84.5 mt -77.55 99.64 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.517 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -82.86 -157.21 0.21 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.665 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -83.59 160.2 21.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.779 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 55.79 23.08 6.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.734 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 28.9 m -85.21 135.74 33.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.499 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 8.0 m -84.51 152.49 23.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.532 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.1 mt -140.09 132.49 28.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.307 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 168' ' ' HIS . . . . . 0.666 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.1 OUTLIER -88.58 100.12 12.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.47 -179.834 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 46.1 tp -84.79 133.49 34.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.862 0.363 . . . . 0.0 110.673 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 170' ' ' VAL . . . . . 0.499 ' CG2' HD13 ' A' ' 36' ' ' LEU . 2.5 t -133.9 142.44 41.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.498 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.681 ' N ' HD12 ' B' ' 171' ' ' LEU . 8.0 mp -80.49 105.19 11.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.571 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -57.69 105.11 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.529 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 173' ' ' LEU . . . . . 0.497 HD13 ' CD1' ' A' ' 43' ' ' PHE . 23.8 mt -72.83 167.93 19.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.533 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -59.56 137.79 57.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.528 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 160.78 83.37 0.05 OUTLIER Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.707 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 201' ' ' MET . . . . . 0.524 ' N ' ' O ' ' C' ' 217' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 202' ' ' GLN . . . . . 0.411 ' O ' ' OE1' ' C' ' 264' ' ' GLU . 61.2 mt-30 -86.72 119.2 26.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.544 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 15.8 pt -112.47 145.12 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.626 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -99.31 143.03 30.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.439 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 75.9 t -124.63 114.45 40.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.396 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 7.7 tptp -80.37 143.14 33.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.585 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 6.8 p -112.07 175.25 5.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.485 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 208' ' ' LEU . . . . . 0.898 HD22 ' H ' ' C' ' 208' ' ' LEU . 0.5 OUTLIER -83.54 23.89 0.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.424 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 209' ' ' THR . . . . . 0.486 ' C ' ' H ' ' C' ' 211' ' ' LYS . 9.3 p -136.52 26.03 3.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.553 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 67.87 -8.82 1.64 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 211' ' ' LYS . . . . . 0.486 ' H ' ' C ' ' C' ' 209' ' ' THR . 46.0 tttm -76.05 161.74 28.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.55 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 212' ' ' THR . . . . . 0.501 HG22 ' N ' ' C' ' 213' ' ' ILE . 54.3 m -136.27 160.48 38.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.474 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 213' ' ' ILE . . . . . 0.501 ' N ' HG22 ' C' ' 212' ' ' THR . 2.2 mt -141.1 125.98 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.604 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 4.9 m -99.35 126.06 45.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.365 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 38.0 mt -131.86 138.72 48.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.877 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 216' ' ' GLU . . . . . 0.596 ' H ' ' CD ' ' C' ' 216' ' ' GLU . 17.1 mp0 -84.15 125.64 32.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.122 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 217' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' C' ' 201' ' ' MET . 10.8 m -146.69 179.27 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.964 0.411 . . . . 0.0 110.874 -179.535 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 218' ' ' GLU . . . . . 0.568 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 83.7 mt-10 -135.62 150.07 70.96 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.966 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.92 -22.48 2.02 Favored 'Trans proline' 0 C--N 1.31 -1.462 0 C-N-CA 122.532 2.155 . . . . 0.0 112.344 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.3 p -92.94 11.27 27.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.057 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 221' ' ' ASP . . . . . 0.568 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 7.9 m-20 -84.05 134.31 34.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 110.303 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 222' ' ' THR . . . . . 0.462 ' O ' ' N ' ' C' ' 225' ' ' ASN . 6.9 p -84.17 134.4 34.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.805 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 31.3 mm -43.84 -45.23 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.16 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -55.76 -34.15 64.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.068 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 225' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' C' ' 222' ' ' THR . 29.6 t-20 -66.94 -39.26 87.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.994 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 14.8 t -65.29 -47.68 86.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.235 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -55.96 -37.31 68.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.243 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -66.48 -38.2 86.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.402 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -64.16 -42.52 96.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.478 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 59.4 mt -68.73 -29.59 44.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.497 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 231' ' ' GLN . . . . . 0.582 ' NE2' ' O ' ' C' ' 231' ' ' GLN . 1.4 tm0? -73.15 -22.65 60.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.196 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -83.54 -36.07 24.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.598 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -83.35 -66.4 0.9 Allowed 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.318 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -68.19 -114.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.551 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -172.9 13.37 0.04 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 236' ' ' ILE . . . . . 0.523 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 15.2 mt -93.25 112.9 58.37 Favored Pre-proline 0 CA--C 1.532 0.277 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -62.28 155.46 56.79 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 121.564 1.509 . . . . 0.0 111.774 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 238' ' ' PRO . . . . . 0.522 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.7 Cg_endo -46.3 -67.82 0.11 Allowed 'Trans proline' 0 C--N 1.309 -1.526 0 C-N-CA 122.696 2.264 . . . . 0.0 112.015 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -42.29 -20.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.831 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 240' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' C' ' 238' ' ' PRO . 32.3 mt-30 -108.39 33.8 3.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.646 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 241' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 58.0 mt-30 -134.37 162.8 31.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.46 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 242' ' ' ARG . . . . . 0.634 HH21 ' CD ' ' C' ' 272' ' ' ARG . 18.9 ttm180 -170.26 116.52 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.473 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 17.5 mt -97.89 132.44 43.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.732 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.5 mt -126.16 142.72 41.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.5 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 245' ' ' PHE . . . . . 0.664 ' O ' ' HB3' ' C' ' 246' ' ' ALA . 60.7 t80 -143.36 93.02 2.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.604 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 246' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' C' ' 245' ' ' PHE . . . 81.18 52.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.65 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 247' ' ' GLY . . . . . 0.487 ' H ' ' HB3' ' D' ' 331' ' ' CYS . . . 72.48 -41.82 0.82 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 248' ' ' LYS . . . . . 0.412 ' H ' ' C ' ' C' ' 246' ' ' ALA . 7.0 ptpt -70.68 137.78 50.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.942 0.401 . . . . 0.0 110.84 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 249' ' ' GLN . . . . . 0.626 ' NE2' ' NE ' ' C' ' 242' ' ' ARG . 32.0 tt0 -91.91 143.71 26.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.289 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 11.6 mt -89.23 125.57 35.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.767 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 251' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' C' ' 251' ' ' GLU . 0.6 OUTLIER -68.91 162.21 27.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.612 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.72 -33.58 31.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.857 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -92.52 41.45 2.76 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 22.9 mmt-85 -139.74 170.58 15.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.669 0.271 . . . . 0.0 110.314 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 23.5 p -113.48 163.66 14.62 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.691 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 88.5 mt -58.7 -39.38 80.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.699 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 257' ' ' SER . . . . . 0.491 ' C ' ' H ' ' C' ' 259' ' ' TYR . 14.6 t -59.42 -33.66 71.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -71.7 15.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.731 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 259' ' ' TYR . . . . . 0.491 ' H ' ' C ' ' C' ' 257' ' ' SER . 54.8 m-85 -140.71 5.92 2.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.577 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 260' ' ' ASN . . . . . 0.524 ' ND2' ' OE1' ' B' ' 149' ' ' GLN . 53.9 t30 60.83 27.24 17.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.787 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 82.5 mt -80.49 105.98 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.449 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -83.26 -157.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -85.65 157.64 20.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.745 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 264' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' C' ' 202' ' ' GLN . 6.0 mm-40 58.57 32.1 21.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.847 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 29.6 m -84.37 128.28 34.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.531 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 8.0 m -91.86 93.04 8.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.647 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 267' ' ' LEU . . . . . 0.55 ' C ' ' HD1' ' C' ' 268' ' ' HIS . 2.4 mp -78.62 168.73 19.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.591 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 268' ' ' HIS . . . . . 0.617 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.1 OUTLIER -114.98 111.75 21.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.179 179.712 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 42.2 tp -89.8 131.4 35.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.365 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 270' ' ' VAL . . . . . 0.482 HG11 HG23 ' D' ' 327' ' ' ILE . 0.8 OUTLIER -136.38 141.93 39.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.441 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 271' ' ' LEU . . . . . 0.642 ' N ' HD12 ' C' ' 271' ' ' LEU . 8.3 mp -80.36 99.46 7.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.297 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 272' ' ' ARG . . . . . 0.634 ' CD ' HH21 ' C' ' 242' ' ' ARG . 24.0 ttm180 -56.72 110.91 0.87 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.476 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 273' ' ' LEU . . . . . 0.499 HD13 ' CD1' ' D' ' 343' ' ' PHE . 11.8 mt -86.09 68.79 10.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.496 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.601 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.819 0.342 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.84 92.91 4.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.55 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 13.8 mt -87.58 41.38 0.98 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.519 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 65.8 m -86.09 18.37 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.636 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -147.44 18.57 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.589 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -91.56 173.83 7.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.497 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -116.67 163.72 15.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.347 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -61.26 -49.35 77.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.622 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.72 96.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.712 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -57.38 -58.54 7.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.486 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 323' ' ' LEU . . . . . 0.545 HD13 ' OE1' ' D' ' 342' ' ' GLU . 16.1 mt -52.87 -61.58 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.54 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 324' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -53.07 -51.86 60.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.436 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 325' ' ' ASP . . . . . 0.54 ' O ' ' N ' ' D' ' 329' ' ' THR . 6.6 t70 -53.32 -51.14 63.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.475 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 326' ' ' THR . . . . . 0.549 ' O ' ' N ' ' D' ' 330' ' ' SER . 53.2 m -51.18 -48.05 62.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.704 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 327' ' ' ILE . . . . . 0.482 HG23 HG11 ' C' ' 270' ' ' VAL . 97.4 mt -66.46 -27.81 41.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.481 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 328' ' ' ASN . . . . . 0.696 ' N ' HD22 ' D' ' 328' ' ' ASN . 0.7 OUTLIER -99.64 1.06 43.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.277 -179.358 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.54 ' N ' ' O ' ' D' ' 325' ' ' ASP . 70.6 p -133.95 -6.24 2.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.608 0.242 . . . . 0.0 110.881 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 330' ' ' SER . . . . . 0.549 ' N ' ' O ' ' D' ' 326' ' ' THR . 3.0 t -118.11 170.84 8.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.984 0.421 . . . . 0.0 110.734 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 331' ' ' CYS . . . . . 0.487 ' HB3' ' H ' ' C' ' 247' ' ' GLY . 1.2 p -137.2 18.87 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.247 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -83.01 91.76 7.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.252 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 333' ' ' ILE . . . . . 0.542 ' HA ' HD12 ' D' ' 336' ' ' LEU . 3.4 mm -38.1 -44.18 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.816 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 334' ' ' GLU . . . . . 0.583 ' CD ' ' H ' ' D' ' 334' ' ' GLU . 20.8 mp0 -53.87 -58.8 5.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.35 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 7.9 mt -54.72 -45.14 74.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.33 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 336' ' ' LEU . . . . . 0.542 HD12 ' HA ' ' D' ' 333' ' ' ILE . 67.2 mt -50.59 -48.06 57.88 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.113 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.26 -49.26 77.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.275 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -62.44 -53.51 53.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.168 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 339' ' ' CYS . . . . . 0.464 ' O ' ' OE2' ' D' ' 342' ' ' GLU . 97.7 m -52.23 -35.82 50.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.164 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 340' ' ' ARG . . . . . 0.511 HH21 HD22 ' C' ' 271' ' ' LEU . 17.7 mtp-105 -76.22 -30.74 58.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.078 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 341' ' ' GLU . . . . . 0.426 ' CG ' ' N ' ' D' ' 342' ' ' GLU . 1.7 pt-20 -69.27 -43.41 73.97 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.089 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 342' ' ' GLU . . . . . 0.545 ' OE1' HD13 ' D' ' 323' ' ' LEU . 3.0 pp20? -73.01 -40.21 65.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.798 179.182 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 343' ' ' PHE . . . . . 0.499 ' CD1' HD13 ' C' ' 273' ' ' LEU . 8.3 t80 -59.54 -39.43 83.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.211 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -72.85 -56.36 5.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.501 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 345' ' ' ARG . . . . . 0.436 ' NH2' ' CB ' ' D' ' 342' ' ' GLU . 0.6 OUTLIER -46.61 -43.37 17.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.224 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.456 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.505 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 8.5 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.772 0.32 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.71 92.86 5.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.481 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.9 mt -100.6 43.41 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.505 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.1 m -84.66 4.32 32.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.707 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.8 mttm -146.64 66.39 1.17 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.61 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -127.94 164.78 21.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.329 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -114.71 170.98 7.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.51 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -66.27 -45.56 80.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.511 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.81 80.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.662 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -68.45 -55.01 13.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.627 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.474 HD21 ' CD ' ' A' ' 42' ' ' GLU . 13.3 mt -58.2 -56.97 15.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.519 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.724 HH12 ' HE ' ' B' ' 172' ' ' ARG . 0.1 OUTLIER -53.05 -52.58 58.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.45 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.524 ' OD2' ' CE1' ' C' ' 245' ' ' PHE . 4.4 t70 -54.72 -50.26 68.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.484 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.553 ' O ' ' N ' ' A' ' 30' ' ' SER . 22.9 m -51.44 -46.66 63.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 88.4 mt -73.33 -25.64 21.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.894 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.601 ' ND2' HH12 ' B' ' 142' ' ' ARG . 2.4 m-20 -89.58 -7.6 54.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.091 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.47 HG21 ' HB3' ' C' ' 246' ' ' ALA . 21.9 p -129.97 -47.12 1.13 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.212 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.553 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.2 t -65.0 164.43 12.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.984 0.421 . . . . 0.0 111.168 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.441 ' SG ' ' CG2' ' B' ' 144' ' ' ILE . 85.2 m -141.94 40.43 1.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.406 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -111.01 99.91 8.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.774 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.711 ' H ' HD12 ' A' ' 33' ' ' ILE . 1.2 mp -39.92 -43.01 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.677 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.598 ' H ' ' CD ' ' A' ' 34' ' ' GLU . 24.5 mp0 -55.42 -58.9 5.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.232 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.477 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 11.6 mt -58.59 -50.33 74.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.089 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 68.8 mt -50.42 -44.62 55.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.52 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.43 -49.22 74.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.582 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.0 -43.39 98.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.516 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.477 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 60.5 m -58.78 -51.78 68.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.381 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.1 mtp-105 -60.03 -38.17 81.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.393 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -58.23 -57.95 10.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.771 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.474 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.8 pt-20 -63.16 -35.64 80.98 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.652 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CD1' HD13 ' B' ' 173' ' ' LEU . 3.5 t80 -58.88 -41.56 87.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.205 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -71.21 -53.55 14.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.471 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 -45.85 -50.04 14.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.379 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 70.8 mtt-85 -50.35 -40.19 48.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.476 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 56.6 mt -74.13 -36.26 64.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.512 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -78.78 -76.42 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.541 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 49' ' ' VAL . 11.7 p -95.08 132.19 39.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.568 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -166.17 61.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.535 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.572 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.521 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -88.71 114.12 24.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.524 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 20.3 pt -104.06 149.18 8.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.621 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -101.18 145.73 28.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.515 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 44.7 t -126.05 107.42 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.031 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -96.72 124.38 40.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.747 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 41.3 p -86.32 -160.34 0.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.437 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.937 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.5 OUTLIER -83.76 -34.12 24.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.351 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 5.0 p -78.96 4.32 14.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.526 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.48 21.02 60.92 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -81.8 112.7 19.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.765 0.317 . . . . 0.0 110.612 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 6.8 m -95.69 135.65 37.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.504 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 3.5 mt -132.64 129.59 58.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.64 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 4.5 m -95.83 125.44 40.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.432 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 27.5 mt -131.59 133.62 45.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.691 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -79.4 123.43 27.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.319 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 117' ' ' VAL . . . . . 0.521 ' O ' ' N ' ' B' ' 101' ' ' MET . 6.4 m -147.12 -179.74 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.951 0.405 . . . . 0.0 110.778 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.582 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 81.5 mt-10 -136.53 150.43 70.36 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.904 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.3 -25.86 3.49 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.537 2.158 . . . . 0.0 112.44 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.4 p -90.06 11.45 20.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.127 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 121' ' ' ASP . . . . . 0.582 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 6.5 m-20 -83.48 133.98 34.87 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.272 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 122' ' ' THR . . . . . 0.448 ' O ' ' N ' ' B' ' 125' ' ' ASN . 8.1 p -84.27 135.09 34.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.829 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 28.8 mm -43.27 -43.14 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.133 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -56.49 -39.24 72.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.022 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 125' ' ' ASN . . . . . 0.5 ' OD1' ' NZ ' ' B' ' 129' ' ' LYS . 36.2 t-20 -62.99 -37.91 89.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.869 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 16.0 t -64.74 -55.21 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.946 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -47.51 -39.03 15.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.212 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.38 91.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.397 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.5 ' NZ ' ' OD1' ' B' ' 125' ' ' ASN . 60.4 mttp -57.96 -42.49 85.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.433 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 4.7 mt -64.07 -48.82 84.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.376 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 131' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.8 OUTLIER -54.08 -26.85 29.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.378 179.847 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -80.31 -29.8 38.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.449 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -80.13 -66.28 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.513 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -81.22 -108.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.627 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -169.37 9.63 0.05 OUTLIER Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.418 ' O ' ' OE1' ' B' ' 141' ' ' GLN . 21.5 mt -80.66 115.47 55.6 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -62.4 153.2 72.33 Favored 'Trans proline' 0 C--N 1.315 -1.186 0 C-N-CA 121.448 1.432 . . . . 0.0 111.612 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.5 Cg_endo -47.86 -67.89 0.1 Allowed 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.515 2.143 . . . . 0.0 112.058 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -43.97 -23.1 0.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.181 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -99.64 28.81 4.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.916 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 141' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' B' ' 138' ' ' PRO . 21.7 mt-30 -134.62 145.27 48.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.943 0.401 . . . . 0.0 110.787 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 142' ' ' ARG . . . . . 0.601 HH12 ' ND2' ' A' ' 28' ' ' ASN . 8.0 ttt180 -150.52 114.22 4.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.961 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.0 mt -91.01 134.79 34.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.224 0.535 . . . . 0.0 111.301 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 144' ' ' ILE . . . . . 0.441 ' CG2' ' SG ' ' A' ' 31' ' ' CYS . 2.6 mt -131.02 134.85 61.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.048 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 145' ' ' PHE . . . . . 0.521 ' CD1' ' O ' ' B' ' 166' ' ' THR . 43.6 t80 -150.83 161.98 41.63 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.75 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 41.77 29.39 0.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.759 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 66.48 37.46 92.68 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 148' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' B' ' 145' ' ' PHE . 24.5 mtpp -145.73 136.61 24.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.804 0.335 . . . . 0.0 110.586 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 149' ' ' GLN . . . . . 0.579 ' NE2' ' NE ' ' B' ' 142' ' ' ARG . 18.7 tt0 -79.56 124.62 28.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.139 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 10.0 mt -81.23 126.74 31.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.357 . . . . 0.0 110.768 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 151' ' ' GLU . . . . . 0.501 ' CD ' HD22 ' C' ' 260' ' ' ASN . 11.8 mm-40 -73.54 161.35 30.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.538 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.13 -27.0 39.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -97.35 41.15 2.37 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.286 -0.725 . . . . 0.0 111.286 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -139.64 171.91 13.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 25.3 p -114.81 163.97 14.75 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.876 0.369 . . . . 0.0 110.793 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 90.2 mt -59.9 -38.03 81.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.651 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 157' ' ' SER . . . . . 0.48 ' C ' ' H ' ' B' ' 159' ' ' TYR . 54.7 p -62.18 -32.15 72.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.692 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -71.95 15.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.753 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 159' ' ' TYR . . . . . 0.48 ' H ' ' C ' ' B' ' 157' ' ' SER . 52.3 m-85 -140.61 7.42 2.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.543 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 64.9 t30 61.25 24.71 14.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.763 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 96.7 mt -78.15 104.21 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.462 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -81.9 -159.04 0.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.749 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -85.73 158.64 19.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.763 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 55.67 28.6 12.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.803 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 19.7 m -93.85 134.72 35.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.523 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 166' ' ' THR . . . . . 0.521 ' O ' ' CD1' ' B' ' 145' ' ' PHE . 5.9 m -78.18 156.37 29.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.407 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.1 mt -140.07 114.21 9.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.251 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 168' ' ' HIS . . . . . 0.69 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -70.07 102.65 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.172 -179.863 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 42.8 tp -87.28 132.57 33.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.354 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.5 t -127.46 142.54 43.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.377 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.561 ' N ' HD12 ' B' ' 171' ' ' LEU . 8.7 mp -79.49 97.12 6.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.437 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 172' ' ' ARG . . . . . 0.724 ' HE ' HH12 ' A' ' 24' ' ' ARG . 0.0 OUTLIER -60.13 94.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.304 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 173' ' ' LEU . . . . . 0.465 HD13 ' CD1' ' A' ' 43' ' ' PHE . 23.9 mt -61.57 128.06 34.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.591 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 12.7 ttt85 53.31 -137.36 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.484 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 152.95 40.0 0.02 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.676 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 201' ' ' MET . . . . . 0.751 ' SD ' HG23 ' C' ' 203' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -156.54 94.16 1.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.468 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 203' ' ' ILE . . . . . 0.751 HG23 ' SD ' ' C' ' 201' ' ' MET . 7.3 pt -104.14 149.7 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.768 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -103.58 143.88 32.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.488 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 45.3 t -127.66 116.55 43.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.637 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -97.56 129.5 44.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.554 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 32.2 p -88.11 -149.67 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.385 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 208' ' ' LEU . . . . . 0.917 HD22 ' H ' ' C' ' 208' ' ' LEU . 0.7 OUTLIER -82.99 -54.58 4.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.386 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 73.3 p -63.76 2.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.647 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 210' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' C' ' 208' ' ' LEU . . . 83.71 21.37 58.02 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -77.92 116.61 18.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.447 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 6.0 m -91.12 145.32 24.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.568 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 2.9 mt -140.0 127.04 23.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.484 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 6.2 m -91.88 126.63 37.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.238 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 30.9 mt -129.88 140.44 50.98 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.884 0.373 . . . . 0.0 110.845 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -91.87 128.09 37.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.146 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 217' ' ' VAL . . . . . 0.507 ' CG2' ' SD ' ' C' ' 201' ' ' MET . 17.2 m -148.65 -159.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.06 0.457 . . . . 0.0 110.882 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 218' ' ' GLU . . . . . 0.501 ' C ' ' H ' ' C' ' 220' ' ' SER . 42.7 mt-10 -151.35 146.5 19.05 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.823 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -50.34 -4.68 0.06 OUTLIER 'Trans proline' 0 C--N 1.309 -1.532 0 C-N-CA 122.357 2.038 . . . . 0.0 112.448 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 220' ' ' SER . . . . . 0.501 ' H ' ' C ' ' C' ' 218' ' ' GLU . 1.7 p -109.72 9.54 24.87 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.662 0.268 . . . . 0.0 110.949 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 221' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -82.69 138.08 34.23 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.367 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 222' ' ' THR . . . . . 0.431 ' O ' ' N ' ' C' ' 225' ' ' ASN . 5.0 p -84.17 133.97 34.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.785 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 27.6 mm -43.6 -40.4 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.254 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -58.77 -39.61 81.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.296 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 225' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' C' ' 222' ' ' THR . 29.2 t-20 -64.14 -40.15 95.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.089 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 21.0 t -63.1 -49.06 84.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.005 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 227' ' ' LYS . . . . . 0.407 ' CA ' HE22 ' C' ' 241' ' ' GLN . 83.3 mttt -52.84 -39.7 62.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.156 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.15 -42.39 99.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.26 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -59.11 -42.54 90.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.256 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 8.7 mt -65.97 -33.97 67.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.242 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -66.07 -27.37 68.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.293 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -82.24 -26.36 33.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.66 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 45.0 mmtt -84.6 -64.56 1.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.619 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -82.27 -106.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.699 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -176.17 20.2 0.05 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 236' ' ' ILE . . . . . 0.445 ' O ' ' OE1' ' C' ' 241' ' ' GLN . 23.3 mt -98.34 110.06 54.91 Favored Pre-proline 0 C--N 1.331 -0.236 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -64.53 152.96 79.66 Favored 'Trans proline' 0 N--CA 1.489 1.233 0 C-N-CA 121.524 1.483 . . . . 0.0 111.721 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 238' ' ' PRO . . . . . 0.517 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.8 Cg_endo -47.41 -63.57 0.31 Allowed 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.58 2.187 . . . . 0.0 111.947 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -43.47 -19.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.615 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 240' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' C' ' 238' ' ' PRO . 29.6 mt-30 -110.18 33.97 4.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.54 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 241' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' C' ' 238' ' ' PRO . 32.9 mt-30 -134.44 162.67 31.59 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.997 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 242' ' ' ARG . . . . . 0.716 HH22 ' HE ' ' C' ' 272' ' ' ARG . 5.3 mtt85 -162.56 98.12 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.852 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 12.8 mt -82.1 127.63 33.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.044 0.45 . . . . 0.0 111.08 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 244' ' ' ILE . . . . . 0.523 HG22 ' SG ' ' D' ' 331' ' ' CYS . 1.6 mt -128.75 125.21 62.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.129 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 245' ' ' PHE . . . . . 0.524 ' CE1' ' OD2' ' A' ' 25' ' ' ASP . 82.6 t80 -115.79 74.37 0.89 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.031 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 246' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' C' ' 245' ' ' PHE . . . 70.57 88.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 247' ' ' GLY . . . . . 0.633 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 42.84 26.97 0.51 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.134 -0.787 . . . . 0.0 111.134 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 21.7 mmtm -131.58 95.39 3.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.723 0.297 . . . . 0.0 110.54 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -71.86 120.89 18.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.084 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 12.0 mt -80.01 131.13 35.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.798 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -77.69 160.76 28.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.487 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 252' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' C' ' 252' ' ' ASP . 0.3 OUTLIER -81.81 -28.95 32.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.806 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -96.84 39.85 2.7 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 26.1 mmt-85 -139.67 171.54 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 30.1 p -113.61 166.07 11.89 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.878 0.371 . . . . 0.0 110.685 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 50.1 mt -60.22 -40.94 91.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.706 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 257' ' ' SER . . . . . 0.493 ' C ' ' H ' ' C' ' 259' ' ' TYR . 5.0 t -56.22 -33.75 65.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -71.6 16.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.701 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 259' ' ' TYR . . . . . 0.493 ' H ' ' C ' ' C' ' 257' ' ' SER . 63.8 m-85 -140.61 6.59 2.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.555 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 260' ' ' ASN . . . . . 0.501 HD22 ' CD ' ' B' ' 151' ' ' GLU . 4.9 m-20 58.58 27.96 16.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.739 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 87.1 mt -79.03 102.7 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.511 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 262' ' ' GLN . . . . . 0.689 HE22 HH22 ' A' ' 24' ' ' ARG . 29.0 mt-30 -80.17 -163.84 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.68 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -83.51 157.29 22.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.756 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 60.76 21.31 11.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.718 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 30.2 m -85.99 137.33 32.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.585 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 7.0 m -86.45 157.63 19.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.418 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 7.5 mt -139.01 149.87 45.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.303 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 268' ' ' HIS . . . . . 0.624 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -107.16 95.99 6.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.518 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 40.7 tp -82.34 131.54 35.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.455 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 270' ' ' VAL . . . . . 0.458 HG22 HD13 ' D' ' 336' ' ' LEU . 4.9 t -123.18 147.38 27.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.807 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 271' ' ' LEU . . . . . 0.433 ' CB ' ' NH1' ' D' ' 340' ' ' ARG . 0.5 OUTLIER -81.44 97.83 7.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.086 179.641 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 272' ' ' ARG . . . . . 0.716 ' HE ' HH22 ' C' ' 242' ' ' ARG . 68.3 ttt180 -62.69 117.2 5.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.622 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 273' ' ' LEU . . . . . 0.492 HD13 ' CD1' ' D' ' 343' ' ' PHE . 11.0 mt -88.57 -178.31 5.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.59 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 32.2 mtt-85 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.55 -179.943 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.832 0.349 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.91 92.89 4.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.655 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 18.8 mt -99.12 32.7 2.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.464 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 13.2 t -79.25 2.28 21.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.683 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 317' ' ' LYS . . . . . 0.498 ' CB ' ' NZ ' ' D' ' 317' ' ' LYS . 5.3 mtmp? -139.0 63.0 1.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.714 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -128.09 163.22 25.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.41 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -103.79 160.26 14.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.656 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -58.44 -51.38 70.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.607 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.64 95.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.742 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -53.35 -49.31 67.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.62 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 323' ' ' LEU . . . . . 0.522 HD21 ' CD ' ' D' ' 342' ' ' GLU . 13.0 mt -62.65 -56.95 13.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.589 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 324' ' ' ARG . . . . . 0.679 ' NH2' HH21 ' C' ' 242' ' ' ARG . 10.0 tpt85 -53.05 -48.09 67.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.524 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 325' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' D' ' 329' ' ' THR . 1.1 m-20 -58.89 -49.78 76.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.401 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 326' ' ' THR . . . . . 0.507 ' O ' ' N ' ' D' ' 330' ' ' SER . 93.8 m -51.59 -43.94 62.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.497 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 90.6 mt -71.83 -29.1 32.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.517 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 328' ' ' ASN . . . . . 0.517 HD21 ' CZ ' ' D' ' 324' ' ' ARG . 42.0 m-80 -96.99 2.42 51.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.524 ' N ' ' O ' ' D' ' 325' ' ' ASP . 75.8 p -131.87 -17.14 2.83 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.966 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 330' ' ' SER . . . . . 0.507 ' N ' ' O ' ' D' ' 326' ' ' THR . 1.6 t -111.44 165.75 11.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.97 0.414 . . . . 0.0 110.913 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 331' ' ' CYS . . . . . 0.633 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 29.4 t -134.8 25.48 3.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.344 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 332' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' D' ' 333' ' ' ILE . 11.6 m-20 -87.66 91.61 8.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.331 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 333' ' ' ILE . . . . . 0.701 ' HA ' HD12 ' D' ' 336' ' ' LEU . 3.2 mt -38.66 -38.57 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.731 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 334' ' ' GLU . . . . . 0.626 ' CD ' ' H ' ' D' ' 334' ' ' GLU . 3.6 mp0 -58.46 -58.92 6.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.272 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 335' ' ' LEU . . . . . 0.485 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 11.9 mt -58.01 -43.02 86.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.047 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 336' ' ' LEU . . . . . 0.701 HD12 ' HA ' ' D' ' 333' ' ' ILE . 77.0 mt -52.73 -44.78 66.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.447 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -66.44 -49.22 67.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.276 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -60.61 -41.34 94.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.249 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 339' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 76.4 m -61.83 -53.81 50.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.083 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 340' ' ' ARG . . . . . 0.498 ' O ' ' CD2' ' D' ' 344' ' ' HIS . 10.4 mtp85 -53.09 -40.28 63.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.185 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -59.46 -61.05 2.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.632 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 342' ' ' GLU . . . . . 0.522 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.6 pt-20 -62.51 -36.54 82.88 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.417 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 343' ' ' PHE . . . . . 0.492 ' CD1' HD13 ' C' ' 273' ' ' LEU . 10.6 t80 -63.66 -33.38 75.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.063 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 344' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' D' ' 340' ' ' ARG . 37.3 m170 -73.69 -45.57 51.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.433 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 62.0 mtp85 -58.63 -43.77 89.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.561 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 14.2 mtp85 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.807 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.768 0.318 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -79.62 92.95 5.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.503 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.5 mt -95.6 37.01 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.595 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.3 p -86.31 18.47 3.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.673 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.6 mttp -147.2 40.88 1.06 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.619 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -110.38 168.98 9.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.514 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -123.86 155.38 38.14 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.371 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.519 ' OH ' ' N ' ' B' ' 176' ' ' GLY . 54.7 t80 -45.45 -54.32 7.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.581 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.64 -50.0 66.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.748 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -53.62 -58.27 7.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.799 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.55 HD21 ' CD ' ' A' ' 42' ' ' GLU . 14.0 mt -57.25 -57.06 14.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.784 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.435 ' NH1' ' OH ' ' A' ' 20' ' ' TYR . 5.1 tpt180 -53.05 -44.98 67.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.632 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 29' ' ' THR . 12.8 m-20 -60.86 -49.52 77.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.451 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.475 ' O ' ' CB ' ' A' ' 30' ' ' SER . 26.3 m -55.31 -41.42 72.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.556 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.7 mt -77.02 -22.51 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.667 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -96.7 -4.95 39.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.138 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 25' ' ' ASP . 41.3 p -131.05 -36.34 1.33 Allowed 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.011 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 26' ' ' THR . 0.4 OUTLIER -86.95 155.96 19.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.987 0.422 . . . . 0.0 111.134 -179.501 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.566 ' SG ' ' CG ' ' B' ' 168' ' ' HIS . 33.4 t -128.47 30.25 5.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.217 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 33' ' ' ILE . 6.7 m-20 -91.58 92.71 8.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.455 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.656 ' HA ' HD12 ' A' ' 36' ' ' LEU . 2.6 mt -38.64 -41.31 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.882 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -56.07 -58.87 6.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.265 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.6 mt -58.78 -46.03 88.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.031 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 33' ' ' ILE . 62.0 mt -50.43 -45.01 55.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.177 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.29 -49.12 73.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.259 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.35 -42.66 92.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.26 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 72.6 m -62.66 -53.54 52.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.134 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.3 mtp85 -52.85 -38.67 61.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.155 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.37 -60.82 3.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.711 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.55 ' CD ' HD21 ' A' ' 23' ' ' LEU . 4.1 pt-20 -62.53 -36.37 82.37 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.696 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.515 ' CD1' HD13 ' B' ' 173' ' ' LEU . 13.1 t80 -60.44 -41.4 93.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.405 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -74.31 -55.24 6.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.48 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.422 ' O ' HG12 ' A' ' 49' ' ' VAL . 88.9 mtt180 -45.88 -44.07 14.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.496 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 64.1 mtt-85 -55.04 -28.06 49.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.483 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.8 mt -93.43 -53.71 3.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.544 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.466 ' C ' ' H ' ' A' ' 50' ' ' TYR . 78.2 tttt -51.78 -39.78 59.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.666 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 49' ' ' VAL . 7.6 p -62.86 0.38 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.498 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.466 ' H ' ' C ' ' A' ' 48' ' ' LYS . 39.1 t80 -113.1 44.5 1.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.531 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.522 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 12.8 t-80 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.534 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.546 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -83.75 113.94 21.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.414 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 17.7 pt -103.99 142.39 17.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.691 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -95.67 129.91 42.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.636 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.446 HG23 HD23 ' B' ' 115' ' ' LEU . 94.7 t -112.68 108.62 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.028 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -82.26 130.35 35.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.752 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 66.6 p -98.5 -178.11 3.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.365 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.923 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.7 OUTLIER -81.32 -26.63 35.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.383 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 7.3 p -81.52 7.4 12.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.52 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.02 1.33 89.89 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -84.24 125.67 32.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.815 0.341 . . . . 0.0 110.613 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.6 m -101.37 150.45 23.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.353 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 5.9 mt -132.75 132.65 59.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.565 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 114' ' ' THR . . . . . 0.508 ' C ' HD22 ' B' ' 115' ' ' LEU . 8.8 m -98.42 105.82 18.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.573 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.838 HD22 ' N ' ' B' ' 115' ' ' LEU . 2.0 mm? -102.25 129.18 48.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.636 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -82.95 118.96 23.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.782 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 117' ' ' VAL . . . . . 0.546 ' O ' ' N ' ' B' ' 101' ' ' MET . 11.5 m -146.28 -159.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.218 0.532 . . . . 0.0 111.293 -179.272 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.637 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 2.2 mt-10 -150.5 170.97 6.94 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 119' ' ' PRO . . . . . 0.415 ' O ' ' OG ' ' B' ' 157' ' ' SER . 3.5 Cg_exo -71.37 -4.82 15.72 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.121 1.881 . . . . 0.0 112.397 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.9 p -109.16 3.4 21.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.738 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 121' ' ' ASP . . . . . 0.637 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 0.4 OUTLIER -77.27 139.15 39.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.416 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 18.7 p -84.96 137.36 33.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.933 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 25.9 mm -45.55 -50.01 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.265 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -49.46 -40.36 36.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.257 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -62.92 -40.77 98.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.085 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 42.5 t -62.43 -42.96 97.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.04 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 127' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' B' ' 141' ' ' GLN . 85.5 mttt -58.52 -37.88 76.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.307 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.87 -43.62 92.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.344 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -59.46 -51.52 69.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.433 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 69.3 mt -56.46 -46.79 82.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.345 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 131' ' ' GLN . . . . . 0.579 ' NE2' ' O ' ' B' ' 131' ' ' GLN . 1.4 tm0? -53.99 -32.26 53.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.123 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -70.23 -38.39 75.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.348 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -71.26 -62.92 1.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.216 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -82.55 -116.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.603 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -165.08 9.51 0.07 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 53.3 mt -79.86 117.02 65.25 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.57 152.57 67.5 Favored 'Trans proline' 0 C--N 1.314 -1.264 0 C-N-CA 121.475 1.45 . . . . 0.0 111.56 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.492 ' O ' ' N ' ' B' ' 140' ' ' GLN . 2.7 Cg_endo -47.03 -67.78 0.11 Allowed 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.567 2.178 . . . . 0.0 112.013 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.1 -21.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' B' ' 138' ' ' PRO . 79.3 mt-30 -105.36 34.21 3.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.774 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 141' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' B' ' 138' ' ' PRO . 63.8 mt-30 -134.54 96.81 3.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.894 0.378 . . . . 0.0 110.673 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 142' ' ' ARG . . . . . 0.529 HH11 ' CD ' ' B' ' 149' ' ' GLN . 29.7 ttm-85 -101.62 112.57 25.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.248 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 15.5 mt -92.62 132.31 36.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.722 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 144' ' ' ILE . . . . . 0.475 HG22 ' SG ' ' A' ' 31' ' ' CYS . 1.6 mt -127.3 143.66 39.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.457 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 145' ' ' PHE . . . . . 0.422 ' O ' ' HB3' ' B' ' 146' ' ' ALA . 60.7 t80 -149.17 105.41 3.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.713 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 146' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' B' ' 145' ' ' PHE . . . 65.56 70.57 0.44 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.78 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 39.9 44.82 2.79 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -150.07 120.15 7.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.837 0.351 . . . . 0.0 110.652 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 149' ' ' GLN . . . . . 0.529 ' CD ' HH11 ' B' ' 142' ' ' ARG . 8.0 tt0 -80.45 124.33 28.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.988 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 10.3 mt -75.98 139.37 41.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.952 0.406 . . . . 0.0 110.847 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -79.32 160.44 26.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.626 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.11 -24.13 24.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.719 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -100.42 40.65 2.36 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -139.52 172.5 12.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.702 0.287 . . . . 0.0 110.373 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 11.6 p -109.86 168.33 9.5 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.738 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 156' ' ' LEU . . . . . 0.435 ' CD1' HG21 ' B' ' 117' ' ' VAL . 81.9 mt -65.33 -35.8 82.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.744 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 157' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' B' ' 119' ' ' PRO . 5.0 p -60.42 -44.38 95.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.601 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -48.3 -39.91 23.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.689 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -90.42 21.15 4.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.54 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 45.13 33.39 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 80.8 mt -80.12 110.82 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.37 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -82.57 -161.46 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.73 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -85.71 156.05 20.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 57.26 31.64 20.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.903 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 70.4 m -81.64 140.51 34.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.52 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 5.4 m -91.75 96.07 10.22 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.493 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.2 mt -85.68 124.53 32.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.654 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 168' ' ' HIS . . . . . 0.583 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.4 OUTLIER -79.35 100.46 7.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.383 179.761 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 64.0 tp -81.68 145.33 30.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 0.0 110.749 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 170' ' ' VAL . . . . . 0.4 ' CG2' HD13 ' A' ' 36' ' ' LEU . 2.6 t -145.35 154.99 13.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.198 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.599 ' N ' HD12 ' B' ' 171' ' ' LEU . 7.6 mp -94.09 106.34 18.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.441 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -59.17 106.83 0.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.561 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 173' ' ' LEU . . . . . 0.515 HD13 ' CD1' ' A' ' 43' ' ' PHE . 17.5 mt -81.31 103.9 11.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.478 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 16.0 ptt-85 -44.05 143.37 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.736 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 155.0 -154.87 25.83 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 176' ' ' GLY . . . . . 0.519 ' N ' ' OH ' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 201' ' ' MET . . . . . 0.522 ' N ' ' O ' ' C' ' 217' ' ' VAL . 26.6 ttp . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 202' ' ' GLN . . . . . 0.609 ' NE2' ' N ' ' C' ' 202' ' ' GLN . 0.4 OUTLIER -68.92 130.51 42.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.485 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 11.9 pt -136.05 142.14 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.345 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -94.03 138.55 31.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.784 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 31.9 t -121.89 105.19 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.998 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -82.0 157.05 24.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.681 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 23.7 p -125.88 -174.71 3.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.442 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 208' ' ' LEU . . . . . 0.895 HD22 ' H ' ' C' ' 208' ' ' LEU . 0.8 OUTLIER -79.86 -25.01 40.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.399 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 8.9 p -82.52 2.8 31.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.581 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 84.62 3.84 88.0 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -76.15 162.31 28.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.732 0.301 . . . . 0.0 110.546 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 9.8 m -138.31 151.76 47.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.529 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -138.25 132.86 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.895 0.379 . . . . 0.0 110.646 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 63.8 m -99.24 98.09 9.1 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.42 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 215' ' ' LEU . . . . . 0.517 ' N ' HD12 ' C' ' 215' ' ' LEU . 10.7 mp -99.02 136.79 38.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.711 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -93.38 123.8 36.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.09 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 217' ' ' VAL . . . . . 0.522 ' O ' ' N ' ' C' ' 201' ' ' MET . 27.0 m -148.7 -161.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.929 0.395 . . . . 0.0 110.977 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 218' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -139.46 176.52 2.53 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.69 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.16 -26.9 10.22 Favored 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.463 2.108 . . . . 0.0 112.294 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 3.0 p -82.51 -27.04 31.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.821 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 221' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -44.66 135.1 5.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.64 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 60.5 p -85.74 143.84 28.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.82 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 19.9 mm -46.47 -58.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.488 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -44.5 -38.1 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.54 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 225' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -65.48 -41.43 93.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.139 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 42.3 t -61.99 -51.99 65.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.979 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -52.7 -32.03 40.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.962 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -68.17 -41.13 81.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.195 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -62.71 -42.27 99.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.267 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 60.4 mt -64.3 -46.48 93.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.232 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 231' ' ' GLN . . . . . 0.575 ' NE2' ' O ' ' C' ' 231' ' ' GLN . 1.0 OUTLIER -56.09 -31.66 63.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.378 179.802 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -75.96 -25.32 55.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.463 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 18.9 mmtm -80.58 -62.25 1.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.513 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -87.56 -108.06 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.56 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -171.93 28.23 0.1 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 236' ' ' ILE . . . . . 0.428 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 38.6 mt -95.48 111.91 57.01 Favored Pre-proline 0 C--N 1.329 -0.294 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -64.26 147.91 91.07 Favored 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 121.517 1.478 . . . . 0.0 111.399 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -48.59 -50.6 12.02 Favored 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 122.196 1.93 . . . . 0.0 111.863 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -53.24 -15.9 1.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.559 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 240' ' ' GLN . . . . . 0.57 HE22 ' H ' ' C' ' 274' ' ' ARG . 36.4 mm-40 -118.47 42.82 2.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.459 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 241' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 67.0 mt-30 -134.51 156.42 48.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.464 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 242' ' ' ARG . . . . . 0.609 HH22 ' NE ' ' C' ' 272' ' ' ARG . 0.2 OUTLIER -166.62 105.04 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.979 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 243' ' ' LEU . . . . . 0.54 ' N ' HD12 ' C' ' 243' ' ' LEU . 6.6 mp -90.3 128.37 36.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.119 0.485 . . . . 0.0 111.183 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.8 mt -125.53 120.02 56.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.283 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 245' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -109.74 71.4 0.76 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.847 0.356 . . . . 0.0 110.909 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 61.18 86.63 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.727 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 247' ' ' GLY . . . . . 0.707 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 56.39 32.31 60.58 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -138.84 88.15 2.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 110.611 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 249' ' ' GLN . . . . . 0.567 ' CD ' ' HE ' ' C' ' 242' ' ' ARG . 12.1 tt0 -74.49 85.88 2.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.026 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 8.9 mt -43.65 137.08 3.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -89.66 158.34 17.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.226 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.85 -1.39 43.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.846 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 253' ' ' GLY . . . . . 0.482 ' O ' ' NE ' ' C' ' 254' ' ' ARG . . . -122.98 37.64 2.74 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 254' ' ' ARG . . . . . 0.482 ' NE ' ' O ' ' C' ' 253' ' ' GLY . 0.0 OUTLIER -134.82 -174.77 3.69 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 255' ' ' THR . . . . . 0.46 ' C ' ' H ' ' C' ' 257' ' ' SER . 41.6 p -127.33 157.17 40.62 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.635 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 256' ' ' LEU . . . . . 0.419 ' CD1' HG21 ' C' ' 217' ' ' VAL . 96.0 mt -58.81 -3.99 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.553 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 257' ' ' SER . . . . . 0.46 ' H ' ' C ' ' C' ' 255' ' ' THR . 11.4 t -94.39 -27.85 15.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.654 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -73.31 12.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.622 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 259' ' ' TYR . . . . . 0.431 ' H ' ' C ' ' C' ' 257' ' ' SER . 69.2 m-85 -140.57 5.78 2.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.521 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 57.12 32.43 21.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.693 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 85.0 mt -77.02 95.83 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.449 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -76.19 -157.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.767 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 10.2 pttm -84.65 160.9 20.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.786 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 56.96 31.51 19.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.804 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 47.7 m -86.66 133.61 33.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.569 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 10.7 m -90.48 101.19 13.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.434 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 10.5 mt -89.03 121.95 31.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.641 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 268' ' ' HIS . . . . . 0.66 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.1 OUTLIER -77.2 99.16 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.913 179.563 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 51.6 tp -79.27 133.8 36.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.865 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 270' ' ' VAL . . . . . 0.438 ' C ' HD22 ' C' ' 271' ' ' LEU . 2.2 t -137.31 164.69 28.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.128 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 271' ' ' LEU . . . . . 0.904 ' N ' HD22 ' C' ' 271' ' ' LEU . 1.1 mm? -104.37 116.29 31.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.42 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 272' ' ' ARG . . . . . 0.609 ' NE ' HH22 ' C' ' 242' ' ' ARG . 48.7 ttt180 -69.97 71.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.459 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 273' ' ' LEU . . . . . 0.429 HD21 HH21 ' D' ' 340' ' ' ARG . 48.4 mt -43.14 118.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.552 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 274' ' ' ARG . . . . . 0.57 ' H ' HE22 ' C' ' 240' ' ' GLN . 25.3 ptt180 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.547 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 N--CA 1.461 0.096 0 CA-C-O 120.825 0.345 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -81.95 92.98 6.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.605 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 14.6 mt -89.11 42.23 1.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.464 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 59.9 m -76.6 12.99 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.67 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 29.1 pttt -163.29 84.58 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.944 0.402 . . . . 0.0 110.687 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -138.91 164.76 28.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.267 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -106.93 163.02 13.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.606 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -66.15 -47.77 72.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.418 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 321' ' ' ALA . . . . . 0.425 ' O ' ' OD2' ' D' ' 325' ' ' ASP . . . -62.4 -35.26 78.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.519 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -67.05 -55.42 14.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.611 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 323' ' ' LEU . . . . . 0.484 HD21 ' CD ' ' D' ' 342' ' ' GLU . 13.0 mt -54.76 -54.41 42.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.52 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 324' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.34 -50.22 67.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.467 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 325' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' D' ' 329' ' ' THR . 23.4 m-20 -59.23 -48.61 80.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.371 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 326' ' ' THR . . . . . 0.488 ' O ' ' N ' ' D' ' 330' ' ' SER . 8.4 m -51.78 -43.62 63.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.545 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 83.7 mt -76.47 -24.71 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.692 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 328' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -98.53 2.21 47.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.508 ' N ' ' O ' ' D' ' 325' ' ' ASP . 81.7 p -137.31 -41.66 0.57 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.684 0.278 . . . . 0.0 111.158 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 330' ' ' SER . . . . . 0.488 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.4 OUTLIER -77.79 169.75 17.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.032 0.444 . . . . 0.0 111.144 -179.321 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 331' ' ' CYS . . . . . 0.707 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 27.9 p -147.27 89.33 1.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.514 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -163.1 99.55 0.96 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.346 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 1.9 mt -38.78 -43.28 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.775 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -56.09 -58.97 5.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.314 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.92 -52.14 66.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.183 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 27.5 mt -50.41 -47.25 56.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.472 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -59.22 -49.16 78.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.427 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.37 -43.84 93.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.538 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 339' ' ' CYS . . . . . . . . . . . . . 94.7 m -58.49 -49.61 76.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.54 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 340' ' ' ARG . . . . . 0.593 ' NH2' ' NE2' ' D' ' 344' ' ' HIS . 19.4 mtp-105 -64.61 -35.17 80.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.511 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -59.26 -56.38 22.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.255 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 342' ' ' GLU . . . . . 0.484 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.8 pt-20 -63.14 -35.03 78.94 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.249 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -58.02 -55.85 29.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.087 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 344' ' ' HIS . . . . . 0.593 ' NE2' ' NH2' ' D' ' 340' ' ' ARG . 11.5 m-70 -58.78 -46.15 88.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.2 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -40.13 62.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.106 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 10.1 mtp85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.487 -179.97 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.736 0.303 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -126.13 92.93 3.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.497 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.5 mt -97.1 44.6 1.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.476 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.0 p -85.38 11.62 9.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.9 pttp -165.53 82.69 0.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.641 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -130.24 175.91 8.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.288 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -117.64 163.82 15.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.646 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.474 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 15.6 t80 -62.12 -49.84 74.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.551 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.81 -44.17 96.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.703 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -56.15 -55.52 32.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.687 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.525 HD21 ' CD ' ' A' ' 42' ' ' GLU . 13.8 mt -57.75 -52.54 65.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.543 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.6 tpt85 -57.66 -42.71 84.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.438 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -64.21 -48.2 76.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.349 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.571 ' O ' ' N ' ' A' ' 30' ' ' SER . 25.7 m -54.28 -49.05 70.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.635 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.4 mt -71.58 -27.7 29.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.928 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.876 ' ND2' HH12 ' B' ' 142' ' ' ARG . 2.9 m-20 -87.41 -8.6 56.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.052 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 64.5 p -127.45 -49.39 1.41 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.66 0.267 . . . . 0.0 111.148 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 26' ' ' THR . 2.0 t -60.72 167.61 2.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.971 0.415 . . . . 0.0 110.958 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.4 m -144.26 36.87 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.376 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.51 100.6 9.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.6 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.4 mt -42.22 -34.15 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.509 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -63.21 -56.02 20.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.177 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.492 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 9.1 mt -60.91 -41.04 95.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.085 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.0 mt -57.01 -43.31 81.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.447 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.18 -49.2 68.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.508 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.41 -45.34 93.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.537 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 73.2 m -59.82 -50.52 73.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.357 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 -60.26 -34.8 74.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.498 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -63.09 -58.28 7.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.738 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.525 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.7 pt-20 -59.5 -36.81 76.77 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.692 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.27 -45.17 94.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.383 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 47' ' ' LEU . 17.0 m170 -72.72 -54.98 7.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.392 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 86.0 mtt-85 -45.76 -48.82 15.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.608 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 67.0 mtt-85 -61.34 -20.76 63.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.688 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 44' ' ' HIS . 85.7 mt -97.4 -32.7 11.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.667 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -77.91 -29.67 50.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.662 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.413 ' O ' HG13 ' A' ' 49' ' ' VAL . 7.2 p -41.93 128.69 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.591 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 17.3 t80 69.21 67.58 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.457 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.576 179.938 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.542 ' N ' ' O ' ' B' ' 117' ' ' VAL . 28.4 ttp . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 102' ' ' GLN . . . . . 0.404 ' N ' ' CG ' ' B' ' 101' ' ' MET . 34.1 tt0 -126.62 127.76 45.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.424 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.562 HD12 ' CD1' ' B' ' 167' ' ' LEU . 13.8 pt -127.37 151.94 34.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.682 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -102.99 147.72 26.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.567 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 22.5 t -128.34 106.99 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.344 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -97.22 128.58 44.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.439 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 24.5 p -88.65 -165.17 1.26 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.52 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.967 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.5 OUTLIER -83.08 -19.24 37.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 19.0 p -88.12 -5.47 58.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.497 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.01 9.32 62.41 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -79.71 122.7 26.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 110.486 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 19.2 m -99.81 144.91 28.33 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.621 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -133.71 123.8 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.396 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 114' ' ' THR . . . . . 0.403 ' C ' HD12 ' B' ' 115' ' ' LEU . 5.8 m -88.29 101.67 14.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.597 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.448 ' N ' HD12 ' B' ' 115' ' ' LEU . 11.1 mp -104.46 132.09 51.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.65 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -88.14 125.14 34.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.078 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 117' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' B' ' 101' ' ' MET . 11.7 m -147.16 -170.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.944 0.402 . . . . 0.0 110.886 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.431 ' N ' ' OD2' ' B' ' 121' ' ' ASP . 13.9 mp0 -139.2 146.94 51.22 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.892 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -47.18 -30.8 11.13 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 122.382 2.055 . . . . 0.0 112.454 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.5 p -87.19 18.17 3.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.193 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 121' ' ' ASP . . . . . 0.431 ' OD2' ' N ' ' B' ' 118' ' ' GLU . 55.9 m-20 -92.59 136.26 33.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 0.0 110.356 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 3.7 p -82.61 138.62 34.15 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.945 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 35.2 mm -46.71 -37.24 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.258 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -58.09 -46.81 84.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.039 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -60.06 -36.01 76.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.069 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 26.7 t -64.61 -46.7 91.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.165 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -55.64 -36.81 67.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.038 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.55 -40.48 89.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.239 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -60.86 -41.74 96.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.361 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 52.1 mt -66.63 -44.84 89.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.334 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 131' ' ' GLN . . . . . 0.403 ' OE1' ' C ' ' B' ' 131' ' ' GLN . 0.9 OUTLIER -55.5 -33.2 63.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.386 179.885 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -74.75 -35.42 62.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.492 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -70.35 -61.89 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -87.35 -106.0 0.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.531 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -173.71 9.45 0.03 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.416 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 42.7 mt -79.71 116.18 59.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.96 152.32 75.87 Favored 'Trans proline' 0 C--N 1.314 -1.251 0 C-N-CA 121.553 1.502 . . . . 0.0 111.588 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.478 ' O ' ' N ' ' B' ' 140' ' ' GLN . 2.6 Cg_endo -47.83 -62.52 0.43 Allowed 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.433 2.088 . . . . 0.0 111.885 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -44.83 -17.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.718 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' B' ' 138' ' ' PRO . 75.3 mt-30 -110.98 35.65 3.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.669 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 141' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' B' ' 138' ' ' PRO . 70.4 mt-30 -134.43 148.24 50.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.559 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 142' ' ' ARG . . . . . 0.876 HH12 ' ND2' ' A' ' 28' ' ' ASN . 22.5 ttt180 -159.63 115.08 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.25 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.2 mt -95.51 138.26 33.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.6 mt -127.39 141.24 46.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.296 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -162.88 152.55 15.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.633 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 58.73 20.81 8.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.06 23.77 70.81 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -145.78 147.22 31.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.815 0.34 . . . . 0.0 110.778 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 149' ' ' GLN . . . . . 0.521 ' NE2' ' O ' ' B' ' 150' ' ' LEU . 3.1 tm0? -79.5 136.57 36.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.212 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.521 ' O ' ' NE2' ' B' ' 149' ' ' GLN . 11.7 mt -81.47 139.64 35.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.845 0.355 . . . . 0.0 110.891 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 151' ' ' GLU . . . . . 0.578 ' OE2' ' ND2' ' C' ' 260' ' ' ASN . 22.3 mm-40 -80.69 160.4 25.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.572 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 152' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' B' ' 152' ' ' ASP . 0.0 OUTLIER -86.6 -15.97 38.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.659 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -107.05 36.94 4.08 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 20.7 mmt-85 -139.71 169.13 18.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.671 0.272 . . . . 0.0 110.396 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 18.8 p -110.15 162.11 14.91 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.723 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 43.4 mt -60.24 -27.61 67.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.739 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 15.8 p -68.31 -42.56 79.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.798 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -52.73 -32.94 45.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.708 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -91.16 2.89 56.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.731 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 160' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' B' ' 160' ' ' ASN . 1.7 t30 62.15 26.65 16.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.666 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 71.1 mt -72.95 112.01 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.464 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -91.16 -169.03 2.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.612 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 163' ' ' ARG . . . . . 0.442 ' HD3' ' H ' ' B' ' 163' ' ' ARG . 0.0 OUTLIER -73.27 155.96 38.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.735 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 61.29 32.82 19.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.815 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 38.2 m -88.98 130.99 35.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.597 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 21.0 m -88.49 111.25 21.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.613 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 167' ' ' LEU . . . . . 0.562 ' CD1' HD12 ' B' ' 103' ' ' ILE . 4.9 mt -100.62 131.05 46.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.604 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 168' ' ' HIS . . . . . 0.667 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -84.86 112.95 21.0 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.817 0.341 . . . . 0.0 110.216 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 43.0 tp -89.93 131.46 35.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.416 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.27 140.33 43.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.324 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.637 ' N ' HD12 ' B' ' 171' ' ' LEU . 8.3 mp -77.05 104.56 7.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.527 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -63.04 95.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.516 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 173' ' ' LEU . . . . . 0.404 ' H ' ' HG ' ' B' ' 173' ' ' LEU . 29.1 mt -59.55 125.15 22.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.488 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 13.9 ttp-105 -44.4 139.85 2.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.579 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 167.6 124.2 0.71 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.637 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 201' ' ' MET . . . . . 0.537 ' N ' ' O ' ' C' ' 217' ' ' VAL . 31.7 ttp . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -67.49 123.74 21.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.625 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 17.9 pt -132.1 149.51 32.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.577 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -100.66 146.38 27.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.744 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 98.5 t -134.36 105.0 6.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.215 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -83.44 137.33 33.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.952 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 33.0 p -95.44 -167.29 1.59 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.425 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 208' ' ' LEU . . . . . 0.968 HD22 ' H ' ' C' ' 208' ' ' LEU . 0.3 OUTLIER -88.48 21.75 2.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.485 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 5.4 p -136.53 9.88 3.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.506 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 89.6 -31.41 5.23 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -46.16 135.14 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.347 . . . . 0.0 110.526 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 33.8 m -115.1 126.18 54.36 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.597 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 213' ' ' ILE . . . . . 0.408 HG21 HD13 ' C' ' 213' ' ' ILE . 1.5 mt -106.96 125.05 63.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.635 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 8.8 m -95.45 118.66 32.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.091 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 19.2 mt -128.35 136.31 50.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.941 0.401 . . . . 0.0 110.897 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -88.91 131.49 35.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.051 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 217' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' C' ' 201' ' ' MET . 33.4 m -149.37 -168.84 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 0.0 110.851 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 218' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -141.12 147.44 47.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.89 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.46 -28.38 8.59 Favored 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.406 2.071 . . . . 0.0 112.489 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.61 8.63 18.76 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.149 -179.478 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 221' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -83.23 135.24 34.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.809 0.338 . . . . 0.0 110.384 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 9.1 p -84.37 138.07 33.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.881 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 23.4 mm -45.42 -48.24 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.294 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -51.67 -37.74 51.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.117 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 225' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -64.79 -43.0 94.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.007 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 18.5 t -60.83 -38.31 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.926 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -62.02 -39.77 93.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.134 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -62.33 -44.97 95.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.131 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -59.47 -42.85 93.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.191 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 32.9 mt -64.24 -29.35 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.224 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -68.26 -41.21 81.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.141 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -67.91 -26.88 66.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.368 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm -80.14 -61.83 1.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.56 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -87.12 -99.48 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.588 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 172.98 13.05 0.02 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 236' ' ' ILE . . . . . 0.516 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 55.1 mt -82.93 129.01 63.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -55.77 145.78 70.04 Favored 'Trans proline' 0 N--CA 1.489 1.256 0 C-N-CA 121.621 1.547 . . . . 0.0 111.615 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -52.25 -32.77 52.15 Favored 'Trans proline' 0 C--N 1.311 -1.422 0 C-N-CA 122.108 1.872 . . . . 0.0 111.876 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 239' ' ' ASP . . . . . 0.482 ' C ' ' H ' ' C' ' 241' ' ' GLN . 2.5 m-20 -69.02 -52.3 30.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.71 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 240' ' ' GLN . . . . . 0.499 ' OE1' ' N ' ' C' ' 240' ' ' GLN . 1.7 mp0 -72.13 37.48 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.687 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 241' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 69.9 mt-30 -134.77 157.98 45.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.971 0.415 . . . . 0.0 110.821 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 242' ' ' ARG . . . . . 0.654 HH22 ' ND2' ' D' ' 328' ' ' ASN . 21.5 ttm180 -170.27 154.45 4.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.953 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 15.0 mt -129.73 142.98 50.61 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.143 0.497 . . . . 0.0 111.405 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.8 mt -128.67 134.57 64.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.823 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 245' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -119.51 74.08 0.99 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.858 0.361 . . . . 0.0 110.993 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 246' ' ' ALA . . . . . 0.653 ' H ' ' HE2' ' C' ' 268' ' ' HIS . . . 55.23 87.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.059 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 247' ' ' GLY . . . . . 0.71 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 55.8 38.43 73.38 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -150.96 91.68 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.704 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -71.18 122.99 21.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.054 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 9.2 mt -84.18 131.47 34.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 110.859 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -82.53 161.04 22.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.582 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.9 -22.26 56.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -103.56 41.48 2.12 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -139.62 175.19 9.78 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 31.1 p -117.72 165.53 13.51 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.701 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.17 -17.68 64.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.763 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 257' ' ' SER . . . . . 0.496 ' C ' ' H ' ' C' ' 259' ' ' TYR . 61.5 p -79.16 -30.6 43.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.625 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -69.82 13.21 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.582 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 259' ' ' TYR . . . . . 0.496 ' H ' ' C ' ' C' ' 257' ' ' SER . 82.3 m-85 -140.65 8.67 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.649 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 260' ' ' ASN . . . . . 0.578 ' ND2' ' OE2' ' B' ' 151' ' ' GLU . 3.8 m120 56.19 31.87 19.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.61 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 79.6 mt -79.6 95.36 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.512 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -77.79 -157.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.567 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -81.82 162.15 22.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.692 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 55.51 37.96 29.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.8 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 39.4 m -95.96 131.0 42.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.542 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 7.6 m -92.98 112.83 24.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.553 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 6.6 mt -103.65 150.05 24.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.585 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 268' ' ' HIS . . . . . 0.696 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.0 OUTLIER -98.52 113.54 25.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.134 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 269' ' ' LEU . . . . . 0.416 HD12 ' O ' ' C' ' 242' ' ' ARG . 35.7 tp -85.41 127.63 34.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.234 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 270' ' ' VAL . . . . . 0.627 HG13 ' CZ ' ' D' ' 340' ' ' ARG . 2.5 t -128.76 155.08 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.564 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 271' ' ' LEU . . . . . . . . . . . . . 12.9 mt -95.9 98.35 10.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.489 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -49.25 117.63 2.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.589 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 273' ' ' LEU . . . . . 0.508 HD13 ' CD1' ' D' ' 343' ' ' PHE . 20.5 mt -98.24 106.34 18.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.46 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 . . . . . 0 C--N 1.332 -0.178 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.38 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 . . . . . 0 N--CA 1.461 0.091 0 CA-C-O 120.809 0.338 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 314' ' ' ASP . . . . . 0.492 ' N ' ' OD1' ' D' ' 314' ' ' ASP . 17.1 p-10 -79.06 93.01 5.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.412 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 15.0 mt -110.84 39.95 2.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.585 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 81.2 p -96.05 18.74 12.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.792 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -138.86 3.68 2.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.774 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -75.47 -177.39 3.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.676 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -132.79 167.66 19.76 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.482 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 320' ' ' TYR . . . . . 0.46 ' C ' ' CD1' ' D' ' 320' ' ' TYR . 7.3 t80 -58.13 -48.17 81.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.662 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -59.52 -46.52 88.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.02 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -61.36 -53.74 52.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.105 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 323' ' ' LEU . . . . . 0.563 HD21 ' CD ' ' D' ' 342' ' ' GLU . 16.3 mt -59.96 -52.55 64.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.041 -179.52 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 324' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -52.82 -44.8 66.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.453 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 325' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' D' ' 329' ' ' THR . 25.9 t70 -63.77 -48.04 78.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.344 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 326' ' ' THR . . . . . 0.52 ' O ' ' N ' ' D' ' 330' ' ' SER . 3.7 m -52.92 -41.51 64.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.565 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 327' ' ' ILE . . . . . 0.417 HD11 ' CB ' ' D' ' 339' ' ' CYS . 94.8 mt -75.68 -30.22 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.515 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 328' ' ' ASN . . . . . 0.654 ' ND2' HH22 ' C' ' 242' ' ' ARG . 2.4 m120 -92.24 -0.45 57.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.926 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.463 ' N ' ' O ' ' D' ' 325' ' ' ASP . 82.5 p -131.79 -46.8 0.95 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.072 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 330' ' ' SER . . . . . 0.52 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.4 OUTLIER -74.34 157.03 36.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.014 0.435 . . . . 0.0 111.141 -179.366 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 331' ' ' CYS . . . . . 0.71 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 25.4 p -135.92 88.08 2.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.527 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -162.27 99.15 1.05 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.999 0.428 . . . . 0.0 110.48 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 333' ' ' ILE . . . . . 0.415 ' H ' HG13 ' D' ' 333' ' ' ILE . 9.8 mt -38.93 -31.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.771 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -67.8 -59.94 2.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.505 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 3.9 mt -61.84 -49.59 75.68 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 336' ' ' LEU . . . . . 0.673 ' CB ' HH22 ' D' ' 340' ' ' ARG . 49.8 mt -50.55 -55.01 18.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.088 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 337' ' ' ALA . . . . . 0.465 ' N ' ' NH2' ' D' ' 340' ' ' ARG . . . -55.34 -44.72 76.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.038 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -56.71 -39.72 74.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.729 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 339' ' ' CYS . . . . . 0.417 ' CB ' HD11 ' D' ' 327' ' ' ILE . 24.2 m -60.05 -53.45 57.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.798 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 340' ' ' ARG . . . . . 0.687 HH21 HD12 ' C' ' 208' ' ' LEU . 0.1 OUTLIER -51.12 -46.17 61.82 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.014 179.445 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -55.11 -60.54 3.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.141 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 342' ' ' GLU . . . . . 0.563 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.8 pt-20 -66.01 -39.86 90.61 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.885 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 343' ' ' PHE . . . . . 0.508 ' CD1' HD13 ' C' ' 273' ' ' LEU . 12.5 t80 -62.02 -33.08 73.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.421 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -81.79 -48.23 11.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.115 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -51.13 -41.36 60.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.998 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.503 179.871 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.54 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.795 0.331 . . . . 0.0 110.582 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -79.09 92.9 5.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.565 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.452 HD13 ' OE1' ' A' ' 42' ' ' GLU . 16.8 mt -95.8 44.42 1.08 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.368 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.6 t -82.62 14.3 3.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.735 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 pttp -170.55 84.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.757 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -133.04 162.72 30.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.159 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -106.37 161.59 14.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.691 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.426 ' OH ' ' N ' ' B' ' 176' ' ' GLY . 18.8 t80 -59.35 -50.91 72.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.41 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.77 -47.74 79.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.761 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -55.27 -58.2 8.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.8 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.576 HD21 ' CD ' ' A' ' 42' ' ' GLU . 15.3 mt -53.31 -58.84 5.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.604 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.528 HH12 ' C ' ' B' ' 173' ' ' LEU . 10.5 tpt180 -53.01 -51.67 60.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.508 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 29' ' ' THR . 7.7 m-20 -55.46 -50.03 70.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.522 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.612 ' O ' ' N ' ' A' ' 30' ' ' SER . 14.9 m -52.38 -54.08 36.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.821 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.401 HG12 HD23 ' A' ' 36' ' ' LEU . 78.1 mt -64.93 -24.15 34.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.683 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.881 ' ND2' HH22 ' B' ' 142' ' ' ARG . 2.5 m-20 -92.4 -9.77 40.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.346 -179.331 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 25' ' ' ASP . 18.9 p -130.44 -3.93 4.29 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.972 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.612 ' N ' ' O ' ' A' ' 26' ' ' THR . 4.3 t -116.17 150.54 37.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.067 0.461 . . . . 0.0 110.953 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.4 p -122.94 18.0 10.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.103 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -79.26 95.88 5.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.813 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.444 ' N ' HD13 ' A' ' 33' ' ' ILE . 4.9 mm -42.29 -39.74 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.534 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.645 ' H ' ' CD ' ' A' ' 34' ' ' GLU . 5.6 mp0 -57.89 -58.75 7.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.26 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.485 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 12.8 mt -58.55 -39.81 81.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.314 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.469 HD13 HG21 ' B' ' 170' ' ' VAL . 90.8 mt -56.14 -43.26 78.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.358 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.96 -49.16 54.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.518 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.31 -46.52 89.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.449 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 72.3 m -59.32 -53.24 60.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.178 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.6 mtp85 -53.96 -39.88 66.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.328 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -60.21 -57.81 11.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.61 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.576 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.2 pt-20 -62.58 -36.12 81.7 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.458 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.427 ' O ' HD23 ' A' ' 47' ' ' LEU . 3.5 t80 -62.63 -38.9 92.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.133 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -68.83 -47.7 65.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.256 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.542 ' O ' ' N ' ' A' ' 49' ' ' VAL . 47.6 mtm180 -54.01 -51.14 64.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.511 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.4 mtp85 -55.95 -26.89 49.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.742 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 43' ' ' PHE . 3.4 mm? -86.72 -58.53 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.457 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.437 ' C ' ' H ' ' A' ' 50' ' ' TYR . 53.2 mttm -69.72 -46.0 66.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.755 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.542 ' N ' ' O ' ' A' ' 45' ' ' ARG . 3.5 t 63.32 1.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.515 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.519 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 2.7 m-85 -87.98 74.97 8.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.301 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 50' ' ' TYR . 76.0 m80 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.495 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.539 ' N ' ' O ' ' B' ' 117' ' ' VAL . 35.1 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -106.76 137.85 44.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.5 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 20.4 pt -144.6 152.34 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.618 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -102.28 158.17 16.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.723 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 97.3 t -144.63 111.33 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.393 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -92.52 133.78 35.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.705 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 50.1 p -84.01 -145.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.314 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.865 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.9 OUTLIER -83.59 -57.89 3.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.468 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 17.6 p -59.95 -44.99 94.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.672 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 149.82 -15.13 1.05 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -44.68 124.85 4.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.795 0.331 . . . . 0.0 110.518 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 17.0 m -103.9 147.79 26.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.677 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 4.9 mt -133.31 129.99 57.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.471 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 10.2 m -98.23 120.32 38.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.501 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 23.3 mt -118.08 134.75 54.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.642 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -94.63 79.41 3.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.351 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 117' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' B' ' 101' ' ' MET . 8.1 m -100.32 -167.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.831 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.516 ' OE1' ' N ' ' B' ' 101' ' ' MET . 9.9 mm-40 -143.23 150.77 53.23 Favored Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.891 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.56 -39.19 22.59 Favored 'Trans proline' 0 C--N 1.309 -1.529 0 C-N-CA 122.581 2.187 . . . . 0.0 112.619 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 2.5 p -82.55 22.81 0.83 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.347 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 121' ' ' ASP . . . . . 0.495 ' OD2' ' N ' ' B' ' 118' ' ' GLU . 25.5 m-20 -96.46 133.14 41.27 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.318 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 7.5 p -80.77 133.75 35.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 123' ' ' ILE . . . . . 0.404 HG22 ' NZ ' ' B' ' 127' ' ' LYS . 34.4 mm -41.97 -48.88 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.404 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -51.04 -43.29 60.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.193 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -60.25 -39.5 86.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.053 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 14.7 t -62.4 -43.81 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.913 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 127' ' ' LYS . . . . . 0.404 ' NZ ' HG22 ' B' ' 123' ' ' ILE . 41.5 mttp -56.32 -40.29 74.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.039 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.98 98.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.348 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -60.76 -45.14 95.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.435 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 15.3 mt -62.04 -47.58 92.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.375 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 131' ' ' GLN . . . . . 0.573 ' NE2' ' O ' ' B' ' 131' ' ' GLN . 1.1 tm0? -54.32 -32.67 57.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.289 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -74.15 -27.59 60.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.485 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 45.0 mmtt -79.56 -63.83 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.482 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -84.65 -109.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.518 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -168.35 10.12 0.05 OUTLIER Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.542 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 36.2 mt -80.09 115.56 55.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -63.09 152.08 81.43 Favored 'Trans proline' 0 C--N 1.315 -1.218 0 C-N-CA 121.474 1.449 . . . . 0.0 111.584 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.522 ' O ' ' N ' ' B' ' 140' ' ' GLN . 2.6 Cg_endo -47.8 -66.93 0.12 Allowed 'Trans proline' 0 C--N 1.31 -1.458 0 C-N-CA 122.453 2.102 . . . . 0.0 111.93 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -43.58 -17.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' B' ' 138' ' ' PRO . 69.8 mt-30 -110.6 34.88 3.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.624 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 141' ' ' GLN . . . . . 0.542 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 77.2 mt-30 -134.52 159.76 40.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.606 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 142' ' ' ARG . . . . . 0.881 HH22 ' ND2' ' A' ' 28' ' ' ASN . 19.4 ttm180 -165.77 129.61 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.255 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 15.8 mt -107.86 128.95 55.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.096 0.474 . . . . 0.0 110.993 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.9 mt -125.32 125.05 68.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.257 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 145' ' ' PHE . . . . . 0.423 ' CG ' ' N ' ' B' ' 146' ' ' ALA . 88.4 t80 -139.62 159.45 42.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.435 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 146' ' ' ALA . . . . . 0.423 ' N ' ' CG ' ' B' ' 145' ' ' PHE . . . 46.02 28.88 0.68 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.618 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 65.91 36.61 92.33 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -150.8 137.19 18.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.757 0.313 . . . . 0.0 110.396 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -74.71 130.66 39.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.368 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 15.7 mt -82.93 138.03 33.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.934 0.397 . . . . 0.0 110.729 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.4 159.26 34.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.501 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.03 -18.59 30.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.727 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -105.81 37.68 3.69 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -139.52 167.47 22.01 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 11.6 p -106.82 161.92 14.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.908 0.385 . . . . 0.0 110.801 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 156' ' ' LEU . . . . . 0.406 ' CD1' HG21 ' B' ' 117' ' ' VAL . 81.0 mt -57.35 -41.01 79.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.675 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 48.3 t -55.12 -44.17 74.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -49.38 -38.2 27.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.738 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -89.94 18.86 5.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.622 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 160' ' ' ASN . . . . . 0.457 ' N ' ' OD1' ' B' ' 160' ' ' ASN . 1.3 m-20 49.16 30.01 2.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 89.9 mt -80.45 108.67 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.375 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -89.35 -156.76 0.42 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.753 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 6.0 ptp85 -80.83 159.91 24.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.831 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 60.26 35.05 20.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.856 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 19.8 m -95.01 122.36 37.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.464 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 21.8 m -95.35 111.96 23.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.504 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 167' ' ' LEU . . . . . 0.4 HD12 ' H ' ' B' ' 167' ' ' LEU . 3.7 mp -100.05 159.27 15.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.619 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 168' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -104.89 118.95 37.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.094 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 169' ' ' LEU . . . . . 0.4 HD12 ' O ' ' B' ' 142' ' ' ARG . 49.1 tp -92.74 134.47 35.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.036 -179.319 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 170' ' ' VAL . . . . . 0.469 HG21 HD13 ' A' ' 36' ' ' LEU . 2.4 t -134.81 139.87 46.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.995 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.584 ' N ' HD12 ' B' ' 171' ' ' LEU . 8.6 mp -74.58 110.03 8.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.828 0.347 . . . . 0.0 110.732 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 172' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' B' ' 173' ' ' LEU . 57.5 ttt180 -71.32 74.16 0.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.412 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 173' ' ' LEU . . . . . 0.528 ' C ' HH12 ' A' ' 24' ' ' ARG . 8.2 mt -41.82 164.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.744 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -71.57 125.95 28.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.54 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . -179.78 158.92 23.01 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 176' ' ' GLY . . . . . 0.426 ' N ' ' OH ' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.526 0.723 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 201' ' ' MET . . . . . 0.523 ' N ' ' O ' ' C' ' 217' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -91.17 115.1 27.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.591 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 20.9 pt -104.63 150.18 7.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.637 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -101.13 143.18 31.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.566 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 6.2 t -131.66 114.58 25.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.451 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 206' ' ' LYS . . . . . 0.469 ' HG3' ' HZ2' ' C' ' 206' ' ' LYS . 46.4 mttp -97.03 132.08 43.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.718 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 65.2 p -88.11 -154.79 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.412 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 208' ' ' LEU . . . . . 0.86 HD22 ' H ' ' C' ' 208' ' ' LEU . 1.1 mm? -78.16 -52.06 9.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 11.0 p -66.63 -1.45 3.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.596 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 87.23 26.51 30.65 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -81.99 113.61 20.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.549 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 8.8 m -85.06 149.5 25.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.633 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 3.0 mt -143.95 127.62 12.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 27.7 m -92.87 116.61 29.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.262 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 25.2 mt -121.93 128.65 51.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.839 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -79.44 122.4 26.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.253 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 217' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' C' ' 201' ' ' MET . 14.4 m -147.41 176.92 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.966 0.412 . . . . 0.0 110.833 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 218' ' ' GLU . . . . . 0.601 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 75.4 mt-10 -131.62 150.67 76.97 Favored Pre-proline 0 CA--C 1.53 0.202 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.912 179.588 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.38 -25.72 3.49 Favored 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 122.532 2.154 . . . . 0.0 112.451 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.2 p -90.86 11.57 22.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.087 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 221' ' ' ASP . . . . . 0.601 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 8.8 m-20 -83.45 134.52 34.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.859 0.361 . . . . 0.0 110.252 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 11.4 p -83.34 137.15 34.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 23.9 mm -45.25 -46.26 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.297 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -55.0 -35.58 64.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.111 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 225' ' ' ASN . . . . . 0.514 ' O ' ' HB3' ' C' ' 228' ' ' ALA . 13.8 t-20 -65.11 -48.91 71.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.024 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 22.1 t -56.29 -55.8 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.916 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 227' ' ' LYS . . . . . 0.427 ' CA ' HE22 ' C' ' 241' ' ' GLN . 46.0 mttm -47.64 -36.12 10.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.005 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 228' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' C' ' 225' ' ' ASN . . . -62.84 -45.14 93.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.003 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -59.89 -35.35 74.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.207 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 5.8 mt -70.39 -31.72 47.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.29 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -70.56 -27.85 64.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.322 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -80.5 -31.21 37.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.684 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -81.3 -57.46 3.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.71 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -88.7 -99.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.566 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 175.34 8.14 0.02 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 236' ' ' ILE . . . . . 0.427 ' O ' ' OE1' ' C' ' 241' ' ' GLN . 14.3 mt -80.17 115.93 57.96 Favored Pre-proline 0 C--N 1.329 -0.301 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.14 149.27 81.3 Favored 'Trans proline' 0 C--N 1.315 -1.211 0 C-N-CA 121.547 1.498 . . . . 0.0 111.7 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -50.51 -39.5 55.02 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.384 2.056 . . . . 0.0 111.983 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.41 -40.41 95.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.791 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -83.91 38.14 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.732 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 241' ' ' GLN . . . . . 0.427 HE22 ' CA ' ' C' ' 227' ' ' LYS . 33.6 mt-30 -134.66 153.85 51.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.715 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 242' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -156.33 95.87 1.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.851 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 243' ' ' LEU . . . . . 0.413 ' N ' HD12 ' C' ' 243' ' ' LEU . 7.9 mp -77.01 132.09 38.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.193 0.521 . . . . 0.0 110.968 -179.46 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.7 mt -135.24 118.06 22.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.21 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 245' ' ' PHE . . . . . 0.48 ' O ' ' HB3' ' C' ' 246' ' ' ALA . 65.3 t80 -107.92 73.9 0.92 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.667 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 246' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' C' ' 245' ' ' PHE . . . 69.27 88.11 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.54 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 247' ' ' GLY . . . . . 0.542 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 45.18 30.75 2.82 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -134.22 94.19 3.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.781 0.324 . . . . 0.0 110.568 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -74.51 119.85 19.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.228 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 11.0 mt -81.44 135.05 35.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.904 0.383 . . . . 0.0 110.827 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 251' ' ' GLU . . . . . 0.474 ' OE1' ' NH1' ' C' ' 254' ' ' ARG . 76.8 mt-10 -82.26 161.5 22.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.421 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.19 -22.77 41.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -102.62 41.44 2.13 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.324 -0.711 . . . . 0.0 111.324 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 254' ' ' ARG . . . . . 0.474 ' NH1' ' OE1' ' C' ' 251' ' ' GLU . 27.3 mmt-85 -139.62 176.07 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 33.9 p -117.96 165.97 13.08 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.853 0.359 . . . . 0.0 110.72 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.77 -35.91 81.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.714 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 257' ' ' SER . . . . . 0.489 ' C ' ' H ' ' C' ' 259' ' ' TYR . 19.1 t -65.49 -30.75 71.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.82 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -69.73 11.09 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.721 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 259' ' ' TYR . . . . . 0.489 ' H ' ' C ' ' C' ' 257' ' ' SER . 60.2 m-85 -140.59 14.16 2.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.478 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 21.3 m120 55.55 26.45 9.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.742 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 94.7 mt -77.75 102.78 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.494 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -81.62 -157.54 0.19 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.61 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -84.68 158.76 20.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.689 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 56.69 29.43 15.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.784 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 41.2 m -80.69 131.4 35.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.537 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 27.7 m -87.83 113.06 23.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.605 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 11.7 mt -100.69 154.16 18.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.445 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 268' ' ' HIS . . . . . 0.654 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -113.0 100.17 8.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.24 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 269' ' ' LEU . . . . . 0.676 HD23 ' N ' ' C' ' 270' ' ' VAL . 6.4 tt -80.95 124.84 29.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.625 -179.585 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 270' ' ' VAL . . . . . 0.676 ' N ' HD23 ' C' ' 269' ' ' LEU . 4.6 t -116.28 148.57 18.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.649 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 271' ' ' LEU . . . . . 0.402 ' HB2' ' HE ' ' D' ' 340' ' ' ARG . 0.5 OUTLIER -84.59 95.53 8.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.2 179.653 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -50.19 137.4 17.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.487 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 273' ' ' LEU . . . . . 0.509 HD13 ' CD1' ' D' ' 343' ' ' PHE . 20.7 mt -117.13 170.09 8.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.529 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.606 179.966 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 313' ' ' TYR . . . . . 0.482 ' CD1' ' N ' ' D' ' 313' ' ' TYR . 0.5 OUTLIER . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.75 0.309 . . . . 0.0 110.536 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.84 92.87 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.512 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 315' ' ' LEU . . . . . 0.46 HD13 ' OE1' ' D' ' 342' ' ' GLU . 11.0 mt -98.25 45.1 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.479 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 8.5 t -82.62 12.6 4.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.737 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -174.04 87.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 110.791 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -130.19 165.66 21.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.246 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 60.8 mmtt -105.06 163.71 12.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.736 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -63.9 -49.41 72.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.552 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -61.24 -39.62 91.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.655 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -61.67 -55.17 33.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.69 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 323' ' ' LEU . . . . . 0.614 HD21 ' CD ' ' D' ' 342' ' ' GLU . 17.2 mt -56.67 -59.56 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.405 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 324' ' ' ARG . . . . . 0.518 ' O ' ' ND2' ' D' ' 328' ' ' ASN . 0.0 OUTLIER -53.14 -52.16 59.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.541 -179.876 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 325' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' D' ' 329' ' ' THR . 10.7 t70 -57.11 -49.08 77.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.596 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 326' ' ' THR . . . . . 0.549 ' O ' ' N ' ' D' ' 330' ' ' SER . 53.1 m -51.44 -48.7 62.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.654 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 327' ' ' ILE . . . . . 0.431 HG23 HD22 ' D' ' 336' ' ' LEU . 94.8 mt -69.35 -33.29 56.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.583 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 328' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' D' ' 324' ' ' ARG . 1.3 m-80 -87.06 -3.23 59.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.176 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.453 ' N ' ' O ' ' D' ' 325' ' ' ASP . 71.4 p -127.26 -16.09 5.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.869 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 330' ' ' SER . . . . . 0.549 ' N ' ' O ' ' D' ' 326' ' ' THR . 4.0 t -110.24 175.2 5.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.991 0.424 . . . . 0.0 110.95 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 331' ' ' CYS . . . . . 0.542 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 14.0 p -143.29 10.83 1.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.09 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 332' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' D' ' 333' ' ' ILE . 6.1 m-20 -72.09 92.06 1.3 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.493 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 333' ' ' ILE . . . . . 0.694 ' HA ' HD12 ' D' ' 336' ' ' LEU . 2.3 mt -38.38 -41.05 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.829 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -56.42 -57.18 13.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.137 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 10.9 mt -59.05 -43.06 91.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.912 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 336' ' ' LEU . . . . . 0.694 HD12 ' HA ' ' D' ' 333' ' ' ILE . 85.7 mt -52.2 -44.09 64.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.423 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -68.08 -49.21 62.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.596 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -60.02 -45.36 93.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.362 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 339' ' ' CYS . . . . . . . . . . . . . 90.2 m -59.03 -53.5 57.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.229 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 340' ' ' ARG . . . . . 0.402 ' HE ' ' HB2' ' C' ' 271' ' ' LEU . 14.9 mtp-105 -52.54 -42.77 64.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.276 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -58.33 -56.07 26.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 342' ' ' GLU . . . . . 0.614 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.5 pt-20 -69.92 -34.68 73.8 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.742 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 343' ' ' PHE . . . . . 0.509 ' CD1' HD13 ' C' ' 273' ' ' LEU . 24.8 t80 -58.45 -41.57 85.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.536 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -76.72 -52.45 9.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.307 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -46.62 -40.86 13.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.218 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 68.5 mtt-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.468 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.791 0.329 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -79.12 93.03 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.573 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.7 mt -93.84 44.69 1.13 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.458 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.8 m -83.78 -3.8 58.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -147.56 76.38 1.4 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.749 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -128.22 163.49 24.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.351 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -106.96 166.68 10.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.622 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -65.61 -48.1 73.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.451 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.18 -33.61 74.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.694 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -68.37 -55.75 10.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.711 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.528 HD21 ' CD ' ' A' ' 42' ' ' GLU . 14.8 mt -56.42 -56.96 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.534 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.534 HH22 ' CG ' ' B' ' 172' ' ' ARG . 14.2 tpt85 -53.04 -53.41 50.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.437 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.532 ' OD2' ' CZ ' ' C' ' 245' ' ' PHE . 4.3 t70 -54.03 -50.57 66.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.384 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.569 ' O ' ' N ' ' A' ' 30' ' ' SER . 17.7 m -50.63 -50.29 54.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.644 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.2 mt -66.75 -25.87 35.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.638 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.589 ' ND2' HH11 ' B' ' 142' ' ' ARG . 2.9 m120 -100.29 1.86 42.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.15 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.53 ' N ' ' O ' ' A' ' 25' ' ' ASP . 75.3 p -135.85 -7.3 2.13 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.072 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.569 ' N ' ' O ' ' A' ' 26' ' ' THR . 4.7 t -111.89 169.47 8.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.984 0.421 . . . . 0.0 110.904 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.43 ' SG ' ' C ' ' B' ' 147' ' ' GLY . 40.2 m -143.22 36.08 1.36 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.323 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -107.67 99.12 8.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.703 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.7 mt -41.61 -37.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.473 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -59.5 -55.14 38.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.134 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.494 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 9.2 mt -62.25 -46.53 88.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.044 179.7 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.1 mt -53.07 -45.09 67.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.438 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.38 -49.06 70.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.469 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.29 -43.0 96.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.396 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 86.4 m -59.78 -53.47 57.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.249 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.555 HH21 HD22 ' B' ' 171' ' ' LEU . 17.0 mtp-105 -54.46 -41.09 69.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.42 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -58.43 -56.49 21.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.846 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.528 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.6 pt-20 -67.73 -37.43 82.18 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.756 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.471 ' CD1' HD13 ' B' ' 173' ' ' LEU . 10.4 t80 -60.13 -34.87 74.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.532 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -83.29 -49.64 9.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.322 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -50.53 -37.99 42.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.213 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 70.9 mtt-85 -63.67 -15.93 59.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.614 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.9 mt -105.85 -23.58 12.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.599 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' A' ' 50' ' ' TYR . 65.8 mmtt -79.45 -32.26 42.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.743 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.418 ' H ' HG22 ' A' ' 49' ' ' VAL . 2.5 m -43.62 89.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.623 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.54 ' N ' ' O ' ' A' ' 48' ' ' LYS . 10.3 m-85 41.29 62.2 1.56 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.653 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.54 ' N ' ' ND1' ' A' ' 51' ' ' HIS . 3.5 p-80 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.588 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.477 ' CG ' ' H ' ' B' ' 102' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 102' ' ' GLN . . . . . 0.477 ' H ' ' CG ' ' B' ' 101' ' ' MET . 13.8 tt0 -168.54 87.62 0.2 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.509 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 7.1 pt -100.83 153.39 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.834 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -109.35 122.09 46.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.456 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 57.3 t -108.78 107.2 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.337 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 106' ' ' LYS . . . . . 0.401 ' HZ2' HG23 ' B' ' 166' ' ' THR . 55.3 mttp -91.76 139.17 30.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.933 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 50.9 p -90.38 -146.93 0.19 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.347 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.923 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.7 OUTLIER -82.96 -60.95 2.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.546 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 109' ' ' THR . . . . . 0.402 ' H ' HG23 ' B' ' 109' ' ' THR . 5.6 p -56.45 -45.94 80.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.645 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 150.56 -6.92 0.68 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -45.71 112.24 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.725 0.297 . . . . 0.0 110.535 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.8 m -100.74 116.17 32.01 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.633 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 4.5 mt -105.69 130.56 56.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.434 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 7.5 m -90.24 99.89 12.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.543 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.492 HD22 ' N ' ' B' ' 115' ' ' LEU . 4.1 mm? -95.91 129.84 43.04 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.682 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -100.35 98.05 8.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.075 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 117' ' ' VAL . . . . . 0.43 HG21 ' CD1' ' B' ' 156' ' ' LEU . 22.9 m -122.54 -162.56 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.528 ' N ' ' OD2' ' B' ' 121' ' ' ASP . 37.2 mm-40 -144.56 150.11 46.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.917 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.3 -40.02 27.79 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.536 2.157 . . . . 0.0 112.597 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.6 p -81.83 22.81 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.408 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 121' ' ' ASP . . . . . 0.528 ' OD2' ' N ' ' B' ' 118' ' ' GLU . 29.7 m-20 -97.58 135.97 38.65 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.307 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 9.7 p -80.79 133.86 35.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.949 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 31.5 mm -43.69 -51.01 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.29 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -48.76 -42.17 34.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.171 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -61.43 -39.53 91.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.096 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.39 -50.14 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.962 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -51.33 -39.83 57.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.203 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.29 -43.55 97.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.312 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 42.0 mttp -57.75 -44.52 86.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.267 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 7.4 mt -62.38 -43.53 98.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.218 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -57.34 -28.32 63.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.192 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -79.88 -26.41 40.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.51 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -80.29 -62.1 1.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.498 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -89.92 -106.24 0.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.631 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -171.6 16.8 0.06 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.731 -0.947 . . . . 0.0 110.731 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.697 ' HB ' HE21 ' B' ' 141' ' ' GLN . 14.8 mt -87.75 114.27 58.26 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 110.5 -0.185 . . . . 0.0 110.5 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -65.28 150.72 87.02 Favored 'Trans proline' 0 C--N 1.314 -1.274 0 C-N-CA 121.523 1.482 . . . . 0.0 111.525 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -48.51 -60.6 0.81 Allowed 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.481 2.12 . . . . 0.0 111.9 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -43.72 -26.41 0.24 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -105.46 34.48 3.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.663 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 141' ' ' GLN . . . . . 0.697 HE21 ' HB ' ' B' ' 136' ' ' ILE . 80.0 mt-30 -134.57 161.24 35.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.908 0.385 . . . . 0.0 110.624 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 142' ' ' ARG . . . . . 0.589 HH11 ' ND2' ' A' ' 28' ' ' ASN . 22.2 ttt85 -166.43 116.64 0.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.204 -179.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 17.5 mt -96.82 131.65 43.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.034 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.5 mt -123.93 134.82 65.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.23 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -153.18 150.79 29.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.818 0.342 . . . . 0.0 110.718 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 58.19 22.24 8.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.963 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 147' ' ' GLY . . . . . 0.43 ' C ' ' SG ' ' A' ' 31' ' ' CYS . . . 73.38 28.9 64.95 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -146.18 147.77 31.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.874 0.369 . . . . 0.0 110.656 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 149' ' ' GLN . . . . . 0.566 ' NE2' ' O ' ' B' ' 150' ' ' LEU . 9.0 tm0? -78.73 135.31 37.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.24 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.566 ' O ' ' NE2' ' B' ' 149' ' ' GLN . 20.6 mt -88.01 118.74 27.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.766 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 151' ' ' GLU . . . . . 0.525 ' N ' ' OE1' ' B' ' 151' ' ' GLU . 0.5 OUTLIER -59.59 160.08 7.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.559 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.89 -24.54 26.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -100.17 37.63 3.48 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -139.49 174.03 10.93 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 25.6 p -111.09 166.1 11.34 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.76 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 156' ' ' LEU . . . . . 0.43 ' CD1' HG21 ' B' ' 117' ' ' VAL . 62.9 mt -62.5 -37.93 87.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.461 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 157' ' ' SER . . . . . 0.497 ' C ' ' H ' ' B' ' 159' ' ' TYR . 8.5 t -56.27 -31.62 63.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.812 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -69.01 11.69 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.687 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 159' ' ' TYR . . . . . 0.497 ' H ' ' C ' ' B' ' 157' ' ' SER . 77.8 m-85 -140.61 3.72 1.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.559 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 56.92 34.52 24.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.614 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 81.9 mt -79.5 97.28 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.493 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -79.68 -158.78 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.619 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 163' ' ' ARG . . . . . 0.422 ' NH1' ' OE1' ' B' ' 164' ' ' GLU . 39.7 ptt85 -83.4 158.97 21.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.666 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 164' ' ' GLU . . . . . 0.422 ' OE1' ' NH1' ' B' ' 163' ' ' ARG . 13.2 mt-10 63.15 23.27 13.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.746 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 50.2 m -82.32 129.92 34.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.452 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 166' ' ' THR . . . . . 0.401 HG23 ' HZ2' ' B' ' 106' ' ' LYS . 24.6 m -91.19 104.33 16.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.714 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 4.1 mp -96.12 147.06 24.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.498 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 168' ' ' HIS . . . . . 0.685 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -96.43 119.26 34.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.042 179.699 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 15.9 tp -99.28 111.16 23.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.475 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 1.1 t -112.17 144.09 20.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.234 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.602 ' N ' HD12 ' B' ' 171' ' ' LEU . 8.8 mp -82.24 91.13 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.567 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 172' ' ' ARG . . . . . 0.534 ' CG ' HH22 ' A' ' 24' ' ' ARG . 65.7 ttt180 -46.26 90.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.436 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 173' ' ' LEU . . . . . 0.512 ' N ' ' O ' ' B' ' 171' ' ' LEU . 22.9 mt -61.05 124.05 19.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.54 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -81.87 142.37 32.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.533 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 175' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' B' ' 176' ' ' GLY . . . -161.04 -123.92 0.7 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 176' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' B' ' 175' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.657 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 201' ' ' MET . . . . . 0.526 ' N ' ' O ' ' C' ' 217' ' ' VAL . 2.3 ptt? . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -82.55 119.88 24.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.65 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 19.4 pt -113.73 144.73 20.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.643 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -94.33 146.98 23.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.668 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 45.6 t -130.96 110.72 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.37 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -80.55 115.14 19.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.526 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 207' ' ' THR . . . . . 0.469 HG23 ' O ' ' C' ' 211' ' ' LYS . 52.4 p -68.76 -163.38 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.469 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 208' ' ' LEU . . . . . 0.928 HD22 ' H ' ' C' ' 208' ' ' LEU . 0.7 OUTLIER -81.34 -53.75 6.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.562 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 209' ' ' THR . . . . . 0.417 ' H ' HG23 ' C' ' 209' ' ' THR . 14.1 p -63.58 -44.22 94.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.577 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 154.82 -32.15 0.67 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 211' ' ' LYS . . . . . 0.469 ' O ' HG23 ' C' ' 207' ' ' THR . 43.3 tttp -44.68 128.62 6.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.76 0.314 . . . . 0.0 110.708 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 212' ' ' THR . . . . . 0.465 HG22 ' N ' ' C' ' 213' ' ' ILE . 31.4 m -99.32 158.69 15.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.644 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 213' ' ' ILE . . . . . 0.465 ' N ' HG22 ' C' ' 212' ' ' THR . 0.5 OUTLIER -136.14 130.16 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.402 179.819 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 26.2 m -99.94 96.95 7.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.393 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 215' ' ' LEU . . . . . 0.538 ' N ' HD12 ' C' ' 215' ' ' LEU . 10.5 mp -97.29 132.18 43.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.739 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 216' ' ' GLU . . . . . 0.496 ' H ' ' CD ' ' C' ' 216' ' ' GLU . 3.6 mp0 -83.8 126.4 32.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.984 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 217' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' C' ' 201' ' ' MET . 18.8 m -147.49 -161.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.066 0.46 . . . . 0.0 111.105 -179.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 218' ' ' GLU . . . . . 0.505 ' N ' ' OD2' ' C' ' 221' ' ' ASP . 2.1 mt-10 -142.67 170.66 8.38 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.668 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.28 -12.99 20.98 Favored 'Trans proline' 0 C--N 1.311 -1.395 0 C-N-CA 122.461 2.107 . . . . 0.0 112.432 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 2.7 p -101.73 -5.77 24.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.728 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 221' ' ' ASP . . . . . 0.505 ' OD2' ' N ' ' C' ' 218' ' ' GLU . 37.6 m-20 -66.77 140.69 57.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.428 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 10.3 p -85.8 141.76 29.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 22.2 mm -49.33 -39.6 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.248 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -58.39 -39.57 80.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.298 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 225' ' ' ASN . . . . . 0.518 ' OD1' ' NZ ' ' C' ' 229' ' ' LYS . 39.5 t-20 -65.06 -40.49 94.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.144 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 35.9 t -62.46 -47.52 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.188 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 227' ' ' LYS . . . . . 0.54 ' NZ ' ' O ' ' C' ' 241' ' ' GLN . 28.7 mttm -55.44 -40.13 71.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.242 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -61.77 -44.36 97.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.209 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 229' ' ' LYS . . . . . 0.518 ' NZ ' ' OD1' ' C' ' 225' ' ' ASN . 60.1 mttp -58.35 -45.37 88.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.288 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 59.7 mt -61.05 -37.76 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.29 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -61.24 -36.03 78.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.252 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -72.55 -24.05 61.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.621 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -82.95 -62.79 1.5 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.687 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -86.38 -107.91 0.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.649 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -171.31 13.15 0.05 OUTLIER Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 236' ' ' ILE . . . . . 0.524 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 27.7 mt -89.61 114.17 59.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -63.4 152.48 79.81 Favored 'Trans proline' 0 C--N 1.314 -1.273 0 C-N-CA 121.524 1.483 . . . . 0.0 111.745 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 238' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' C' ' 240' ' ' GLN . 2.7 Cg_endo -47.45 -62.75 0.4 Allowed 'Trans proline' 0 C--N 1.31 -1.492 0 C-N-CA 122.516 2.144 . . . . 0.0 111.88 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -45.45 -15.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.672 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 240' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' C' ' 238' ' ' PRO . 86.5 mt-30 -116.58 33.62 5.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.61 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 241' ' ' GLN . . . . . 0.54 ' O ' ' NZ ' ' C' ' 227' ' ' LYS . 49.0 mt-30 -134.51 166.92 21.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.67 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 242' ' ' ARG . . . . . 0.744 HH22 ' ND2' ' D' ' 328' ' ' ASN . 5.9 ttt180 -170.43 147.72 3.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.762 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 11.4 mt -125.09 136.2 53.43 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.093 0.473 . . . . 0.0 111.101 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 244' ' ' ILE . . . . . 0.458 ' O ' ' CG ' ' C' ' 268' ' ' HIS . 1.6 mt -129.13 116.26 39.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.057 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 245' ' ' PHE . . . . . 0.532 ' CZ ' ' OD2' ' A' ' 25' ' ' ASP . 61.9 t80 -100.7 74.54 1.67 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.947 0.404 . . . . 0.0 110.91 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 246' ' ' ALA . . . . . 0.4 ' CB ' ' OD1' ' A' ' 25' ' ' ASP . . . 56.34 88.17 0.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.973 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 247' ' ' GLY . . . . . . . . . . . . . . . 54.75 40.33 71.05 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -150.92 92.47 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.754 0.311 . . . . 0.0 110.901 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 249' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' D' ' 328' ' ' ASN . 10.9 tt0 -73.07 119.48 17.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.781 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 9.3 mt -80.83 141.44 34.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.931 0.395 . . . . 0.0 111.093 -179.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -86.14 161.09 19.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.364 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.16 0.1 54.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.891 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -123.14 34.25 3.76 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -135.81 178.44 7.04 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 255' ' ' THR . . . . . 0.42 ' C ' ' H ' ' C' ' 257' ' ' SER . 30.3 p -117.33 162.94 17.1 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.683 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 71.9 mt -66.83 2.77 1.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.6 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 257' ' ' SER . . . . . 0.42 ' H ' ' C ' ' C' ' 255' ' ' THR . 1.4 t -92.26 -43.77 9.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.726 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -51.0 -31.21 17.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.571 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -98.04 0.98 47.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.73 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 260' ' ' ASN . . . . . 0.556 ' O ' ' ND2' ' C' ' 260' ' ' ASN . 1.3 t30 62.15 13.13 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.767 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 45.0 mt -51.77 96.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.865 0.364 . . . . 0.0 110.3 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -76.3 -157.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.661 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -84.19 159.0 21.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 58.29 33.96 23.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.776 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 26.7 m -89.95 134.88 33.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.56 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 7.0 m -86.68 113.65 22.72 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.477 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 11.8 mt -109.55 115.74 30.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.704 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 268' ' ' HIS . . . . . 0.645 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.1 OUTLIER -73.39 117.35 15.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.078 179.627 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 269' ' ' LEU . . . . . 0.4 HD12 ' O ' ' C' ' 242' ' ' ARG . 35.1 tp -88.8 128.38 35.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.38 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 270' ' ' VAL . . . . . 0.522 HG12 ' H ' ' C' ' 271' ' ' LEU . 4.6 t -131.08 168.49 23.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.638 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 271' ' ' LEU . . . . . 0.522 ' H ' HG12 ' C' ' 270' ' ' VAL . 10.5 mt -99.53 119.84 38.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.532 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -79.92 91.63 5.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.557 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 273' ' ' LEU . . . . . 0.5 HD13 ' CD1' ' D' ' 343' ' ' PHE . 17.4 mt -72.99 100.44 2.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.548 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 274' ' ' ARG . . . . . 0.524 ' O ' ' NH2' ' D' ' 324' ' ' ARG . 61.2 ttt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.448 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.855 0.36 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -78.98 92.86 5.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.632 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 315' ' ' LEU . . . . . 0.472 ' C ' ' H ' ' D' ' 317' ' ' LYS . 19.6 mt -97.04 33.83 1.85 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.457 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 13.3 p -71.21 13.44 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.666 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 317' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' D' ' 315' ' ' LEU . 27.5 pttt -157.7 80.91 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.64 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 8.0 m95 -138.88 164.09 30.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.157 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -108.16 161.4 15.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.603 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -63.68 -48.74 75.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.413 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -60.08 -36.03 76.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.613 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -67.77 -55.41 13.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.633 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 323' ' ' LEU . . . . . 0.508 HD21 ' CD ' ' D' ' 342' ' ' GLU . 13.3 mt -54.64 -56.77 15.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.448 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 324' ' ' ARG . . . . . 0.524 ' NH2' ' O ' ' C' ' 274' ' ' ARG . 4.0 tpt180 -53.09 -52.03 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.497 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 325' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' D' ' 329' ' ' THR . 69.8 m-20 -56.91 -49.45 75.55 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.439 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 326' ' ' THR . . . . . 0.423 ' O ' ' N ' ' D' ' 330' ' ' SER . 18.8 m -51.07 -43.26 60.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.56 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 95.8 mt -77.89 -21.88 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.757 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 328' ' ' ASN . . . . . 0.744 ' ND2' HH22 ' C' ' 242' ' ' ARG . 2.1 m120 -102.33 3.83 38.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.985 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.512 ' N ' ' O ' ' D' ' 325' ' ' ASP . 82.1 p -139.33 -40.57 0.47 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.683 0.277 . . . . 0.0 111.227 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 330' ' ' SER . . . . . 0.423 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.5 OUTLIER -82.13 162.34 22.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.035 0.445 . . . . 0.0 111.317 -179.335 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 331' ' ' CYS . . . . . 0.483 ' O ' ' SG ' ' D' ' 331' ' ' CYS . 26.5 p -138.35 88.28 2.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.305 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -157.1 95.4 1.49 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.328 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 4.6 mt -38.83 -34.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.798 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -64.07 -59.01 4.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.278 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 19.4 mt -60.96 -48.85 79.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.933 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 39.0 mt -50.58 -45.48 57.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.453 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -62.89 -49.07 76.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.43 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -63.38 -47.24 82.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.706 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 339' ' ' CYS . . . . . . . . . . . . . 75.4 m -55.29 -48.36 74.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.424 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 340' ' ' ARG . . . . . 0.489 ' NH2' HD12 ' C' ' 208' ' ' LEU . 6.8 mtp180 -62.8 -39.63 94.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.474 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -56.88 -57.32 12.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.653 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 342' ' ' GLU . . . . . 0.508 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.7 pt-20 -62.85 -33.95 76.33 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.555 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 343' ' ' PHE . . . . . 0.5 ' CD1' HD13 ' C' ' 273' ' ' LEU . 6.9 t80 -58.6 -44.87 90.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.288 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -70.39 -51.69 27.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.437 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -47.09 -49.13 22.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.503 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 72.1 mtt-85 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.499 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.769 0.319 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.56 92.85 5.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.582 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.9 mt -92.83 43.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.2 p -95.47 -6.52 40.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.667 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -122.14 41.71 3.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.524 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -109.32 168.28 9.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.548 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -112.54 164.13 13.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.568 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 29.5 t80 -60.59 -49.61 76.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.6 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.45 -39.24 92.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.417 ' O ' ' OG1' ' A' ' 26' ' ' THR . 52.0 mm-40 -60.15 -58.06 10.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.632 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.492 HD21 ' CD ' ' A' ' 42' ' ' GLU . 14.4 mt -55.5 -58.01 9.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.542 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.8 -45.56 67.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.156 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 29' ' ' THR . 8.3 t70 -60.33 -49.77 76.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.09 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.541 ' O ' ' N ' ' A' ' 30' ' ' SER . 4.4 m -49.07 -45.95 43.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.46 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.611 HD11 ' SG ' ' A' ' 39' ' ' CYS . 89.5 mt -73.55 -28.03 24.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.949 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -93.28 0.29 56.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.196 -179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' ASP . 43.8 p -137.0 -44.73 0.57 Allowed 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.357 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.8 OUTLIER -70.75 173.79 6.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.013 0.435 . . . . 0.0 111.323 -179.268 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.425 ' SG ' ' CG2' ' B' ' 144' ' ' ILE . 66.1 m -151.68 86.91 1.34 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.438 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -163.14 102.45 0.98 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.926 0.394 . . . . 0.0 110.537 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.635 ' H ' HD12 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -39.24 -44.52 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.77 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -55.16 -58.85 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.407 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.76 -52.49 65.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.102 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.9 mt -50.58 -46.16 57.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.578 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.85 -49.21 77.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.445 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.69 -42.78 99.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.229 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.611 ' SG ' HD11 ' A' ' 27' ' ' ILE . 30.9 t -60.75 -53.55 56.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.157 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.2 mtp-105 -55.04 -38.87 68.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.365 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -60.05 -59.67 5.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.664 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.492 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.7 pt-20 -63.24 -35.13 79.3 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.543 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.488 ' CD1' HD13 ' B' ' 173' ' ' LEU . 13.4 t80 -59.82 -40.55 88.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.304 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -71.97 -52.55 16.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.315 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.522 ' O ' ' N ' ' A' ' 49' ' ' VAL . 59.6 mtp180 -46.75 -47.7 20.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.451 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.7 mtp85 -52.12 -26.74 11.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.569 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.3 mt -95.84 -53.82 3.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.569 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -68.07 -48.02 66.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.638 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.522 ' N ' ' O ' ' A' ' 45' ' ' ARG . 3.0 t 56.59 -126.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.291 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.432 ' O ' ' O ' ' A' ' 49' ' ' VAL . 0.3 OUTLIER 45.52 98.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.56 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.528 179.94 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.526 ' N ' ' O ' ' B' ' 117' ' ' VAL . 29.4 ttp . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -92.31 125.37 36.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.669 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 17.4 pt -123.42 145.01 31.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.487 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 104' ' ' PHE . . . . . 0.497 ' CE2' ' OG1' ' B' ' 114' ' ' THR . 78.9 m-85 -98.96 135.67 40.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.669 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 38.5 t -113.89 107.05 21.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.253 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.44 155.12 27.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.63 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 17.1 p -121.61 -174.24 2.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.424 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.941 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.7 OUTLIER -81.85 -26.98 33.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.406 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 44.5 p -84.85 3.1 39.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.47 -14.85 63.74 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -56.11 161.64 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 110.535 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 4.7 m -141.37 152.82 44.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.551 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -137.98 126.24 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.431 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 114' ' ' THR . . . . . 0.497 ' OG1' ' CE2' ' B' ' 104' ' ' PHE . 10.6 m -96.93 96.53 8.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.559 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.566 ' N ' HD12 ' B' ' 115' ' ' LEU . 8.8 mp -95.7 137.9 34.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.734 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -90.23 123.31 33.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.2 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 117' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' B' ' 101' ' ' MET . 16.8 m -147.76 -170.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.018 0.437 . . . . 0.0 110.818 -179.596 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.59 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 4.5 mt-10 -137.43 148.38 61.54 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.786 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.98 -25.04 2.53 Favored 'Trans proline' 0 C--N 1.31 -1.462 0 C-N-CA 122.385 2.056 . . . . 0.0 112.377 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.34 12.31 18.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.946 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 121' ' ' ASP . . . . . 0.59 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 1.1 m-20 -84.31 134.8 34.5 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 110.256 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 10.5 p -83.65 135.82 34.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.793 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 26.2 mm -41.96 -48.65 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.317 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -51.0 -42.69 60.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.164 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 125' ' ' ASN . . . . . 0.455 ' O ' ' HB3' ' B' ' 128' ' ' ALA . 23.5 t-20 -60.46 -46.89 88.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.022 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 45.7 t -54.79 -46.78 74.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.941 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 127' ' ' LYS . . . . . 0.445 ' O ' ' OE1' ' B' ' 141' ' ' GLN . 82.7 mttt -54.73 -36.59 64.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.948 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 128' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' B' ' 125' ' ' ASN . . . -62.4 -49.84 73.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.17 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -55.19 -47.61 74.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.359 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 71.7 mt -56.87 -46.79 83.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.366 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 131' ' ' GLN . . . . . 0.451 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 2.1 tp60 -54.77 -31.48 58.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.871 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -70.88 -40.33 72.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.627 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -70.59 -64.59 0.87 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.324 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -80.99 -115.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.618 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -168.77 13.04 0.06 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.525 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 45.7 mt -84.69 119.0 72.3 Favored Pre-proline 0 CA--C 1.533 0.289 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -59.94 153.15 59.36 Favored 'Trans proline' 0 C--N 1.314 -1.279 0 C-N-CA 121.476 1.451 . . . . 0.0 111.654 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.515 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -47.8 -65.44 0.18 Allowed 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.501 2.134 . . . . 0.0 111.882 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 139' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' B' ' 139' ' ' ASP . 50.1 t0 -42.31 -22.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' B' ' 138' ' ' PRO . 86.5 mt-30 -106.69 33.38 3.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.788 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 141' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 78.3 mt-30 -134.65 82.27 1.95 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.7 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 142' ' ' ARG . . . . . 0.705 HH12 HH21 ' B' ' 172' ' ' ARG . 40.6 ttt85 -90.04 112.22 23.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.994 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.6 mt -92.87 140.64 29.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.076 0.465 . . . . 0.0 111.24 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 144' ' ' ILE . . . . . 0.425 ' CG2' ' SG ' ' A' ' 31' ' ' CYS . 2.4 mt -133.57 138.03 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.205 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 145' ' ' PHE . . . . . 0.529 ' O ' ' HB3' ' B' ' 146' ' ' ALA . 83.9 t80 -166.29 144.25 5.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.591 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 146' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' B' ' 145' ' ' PHE . . . 71.85 17.9 5.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.8 21.9 70.51 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 37.9 mttm -146.36 149.93 34.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.716 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 149' ' ' GLN . . . . . 0.527 ' NE2' ' OE1' ' B' ' 151' ' ' GLU . 1.1 tm0? -80.65 131.58 35.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.187 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.444 ' O ' ' OE1' ' B' ' 149' ' ' GLN . 12.5 mt -80.26 113.56 18.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.029 -179.499 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 151' ' ' GLU . . . . . 0.527 ' OE1' ' NE2' ' B' ' 149' ' ' GLN . 0.3 OUTLIER -60.97 160.99 8.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.373 179.721 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.21 -24.48 32.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.812 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -97.75 41.33 2.31 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 32.8 mmt-85 -139.65 173.83 11.14 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 35.3 p -117.8 165.01 14.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.928 0.394 . . . . 0.0 110.654 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 156' ' ' LEU . . . . . 0.514 ' CD1' HG21 ' B' ' 117' ' ' VAL . 90.1 mt -61.94 -34.11 75.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.595 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 83.3 p -65.86 -41.63 91.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.685 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -51.15 -39.7 56.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.692 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 159' ' ' TYR . . . . . 0.416 ' OH ' ' OE2' ' B' ' 151' ' ' GLU . 57.9 m-85 -88.04 8.53 26.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.704 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 160' ' ' ASN . . . . . 0.551 ' ND2' ' O ' ' B' ' 160' ' ' ASN . 1.8 t30 61.21 21.17 11.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.75 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 85.9 mt -69.93 102.59 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.369 . . . . 0.0 110.345 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -83.85 -168.14 2.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.729 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -72.75 161.79 30.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.818 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 51.54 38.94 23.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.679 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 30.4 m -102.28 138.94 38.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.492 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 6.2 m -85.1 147.45 26.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.37 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.7 mt -134.31 111.6 10.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.238 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 168' ' ' HIS . . . . . 0.689 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -68.77 106.6 2.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.162 -179.794 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 41.2 tp -87.57 130.34 34.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.622 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.0 t -129.24 154.95 40.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.359 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.624 ' N ' HD12 ' B' ' 171' ' ' LEU . 7.4 mp -98.1 104.19 16.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.603 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 172' ' ' ARG . . . . . 0.705 HH21 HH12 ' B' ' 142' ' ' ARG . 60.1 ttt180 -56.09 82.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.393 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 173' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' B' ' 171' ' ' LEU . 34.2 mt -46.64 96.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.656 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 174' ' ' ARG . . . . . 0.491 ' CG ' ' H ' ' B' ' 175' ' ' GLY . 0.0 OUTLIER 42.33 -141.22 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.711 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 175' ' ' GLY . . . . . 0.491 ' H ' ' CG ' ' B' ' 174' ' ' ARG . . . 173.83 -93.5 0.1 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.599 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 201' ' ' MET . . . . . . . . . . . . . 1.4 ptt? . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -96.75 114.19 25.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.727 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 18.6 pt -102.28 149.44 6.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.598 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -102.99 139.98 37.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.705 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 41.0 t -127.7 109.71 20.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.281 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -93.74 132.13 38.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.814 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 70.1 p -84.63 -157.43 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.301 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 208' ' ' LEU . . . . . 0.609 ' N ' HD22 ' C' ' 208' ' ' LEU . 3.3 mm? -70.4 -61.41 1.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.55 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 5.7 p -56.27 -45.89 79.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.546 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 143.78 11.51 0.36 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -62.66 110.23 1.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.736 0.303 . . . . 0.0 110.632 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 8.7 m -90.88 134.87 34.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.426 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 213' ' ' ILE . . . . . 0.409 HD13 HG21 ' C' ' 213' ' ' ILE . 2.8 mt -126.94 128.09 70.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.667 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 8.1 m -95.59 122.74 38.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.128 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 30.9 mt -130.41 128.92 42.34 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.877 0.37 . . . . 0.0 110.953 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -77.01 121.48 23.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.221 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 217' ' ' VAL . . . . . . . . . . . . . 15.4 m -147.56 174.03 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.385 . . . . 0.0 110.885 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 218' ' ' GLU . . . . . 0.584 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 76.1 mt-10 -128.39 151.24 76.23 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.0 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.81 -25.89 2.88 Favored 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 122.482 2.121 . . . . 0.0 112.352 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.6 p -80.59 -27.55 37.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.747 0.308 . . . . 0.0 110.944 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 221' ' ' ASP . . . . . 0.584 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 5.0 m-20 -45.71 135.57 6.69 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.964 0.411 . . . . 0.0 110.644 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 222' ' ' THR . . . . . 0.426 ' OG1' ' OD1' ' C' ' 225' ' ' ASN . 17.5 p -90.82 140.17 30.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.648 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 22.5 mm -45.51 -34.12 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.363 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -63.22 -41.58 99.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.264 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 225' ' ' ASN . . . . . 0.426 ' OD1' ' OG1' ' C' ' 222' ' ' THR . 2.8 m120 -63.64 -40.66 97.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.065 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 44.4 t -62.64 -50.76 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.961 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 227' ' ' LYS . . . . . 0.509 ' NZ ' ' O ' ' C' ' 241' ' ' GLN . 19.6 mttm -50.17 -42.35 50.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.177 179.438 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -61.55 -43.74 98.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.426 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 37.1 mttp -58.52 -38.88 78.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.445 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 8.0 mt -69.25 -33.1 56.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.314 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -66.21 -30.94 71.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.306 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -79.14 -31.17 43.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.631 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm -78.31 -62.44 1.68 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.705 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -86.05 -97.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.593 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 169.66 15.5 0.02 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 236' ' ' ILE . . . . . 0.523 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 53.7 mt -84.26 128.59 61.55 Favored Pre-proline 0 CA--C 1.532 0.283 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -55.58 147.99 56.16 Favored 'Trans proline' 0 C--N 1.313 -1.303 0 C-N-CA 121.645 1.564 . . . . 0.0 111.591 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -51.98 -37.21 67.1 Favored 'Trans proline' 0 C--N 1.309 -1.513 0 C-N-CA 122.246 1.964 . . . . 0.0 111.726 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -66.01 -40.8 91.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.493 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -84.43 36.57 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.536 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 241' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 87.0 mt-30 -134.34 74.72 1.55 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.525 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 242' ' ' ARG . . . . . 0.558 ' HG2' HE21 ' C' ' 249' ' ' GLN . 32.5 ttt85 -89.71 109.44 20.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.215 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 15.3 mt -88.5 131.59 34.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.5 mt -127.18 123.61 62.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.362 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 245' ' ' PHE . . . . . 0.449 ' CZ ' ' OD2' ' A' ' 25' ' ' ASP . 59.6 t80 -112.8 85.51 2.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.737 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 246' ' ' ALA . . . . . 0.461 ' C ' ' H ' ' C' ' 248' ' ' LYS . . . 63.69 61.67 0.98 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.817 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 247' ' ' GLY . . . . . 0.543 ' H ' ' HB3' ' D' ' 331' ' ' CYS . . . 73.95 -18.68 1.86 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 248' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' C' ' 246' ' ' ALA . 76.9 mttt -81.47 93.46 6.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.714 0.292 . . . . 0.0 110.64 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 249' ' ' GLN . . . . . 0.573 ' NE2' ' O ' ' C' ' 250' ' ' LEU . 8.5 tm0? -69.54 124.55 24.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.968 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 250' ' ' LEU . . . . . 0.573 ' O ' ' NE2' ' C' ' 249' ' ' GLN . 10.0 mt -85.08 137.74 32.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.929 0.395 . . . . 0.0 110.909 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.13 159.54 16.04 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.328 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -0.54 32.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.747 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -122.98 40.75 1.93 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -139.57 174.77 10.18 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 255' ' ' THR . . . . . 0.489 ' C ' ' H ' ' C' ' 257' ' ' SER . 19.1 p -118.47 159.63 23.16 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.688 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.34 2.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 257' ' ' SER . . . . . 0.489 ' H ' ' C ' ' C' ' 255' ' ' THR . 25.5 t -96.47 -32.88 12.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.549 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -74.43 15.98 0.3 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.567 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 259' ' ' TYR . . . . . 0.452 ' H ' ' C ' ' C' ' 257' ' ' SER . 69.7 m-85 -140.62 6.72 2.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.514 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 2.5 m120 57.68 28.17 15.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.719 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 91.9 mt -77.94 96.35 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.424 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -79.64 -157.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.754 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.62 161.77 21.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.718 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 52.43 24.37 2.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.593 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 24.2 m -85.48 134.68 34.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.571 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 6.7 m -82.25 151.42 26.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.425 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 8.7 mt -139.61 125.67 19.86 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.446 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 268' ' ' HIS . . . . . 0.638 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -81.94 100.55 9.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.309 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 50.4 tp -82.6 133.81 35.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.806 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 270' ' ' VAL . . . . . 0.488 HG22 HD13 ' D' ' 336' ' ' LEU . 2.1 t -132.08 163.71 36.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.249 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 271' ' ' LEU . . . . . 0.598 ' N ' HD12 ' C' ' 271' ' ' LEU . 7.3 mp -101.39 98.25 8.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.357 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 -46.41 118.36 1.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.531 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 273' ' ' LEU . . . . . 0.509 HD13 ' CG ' ' D' ' 343' ' ' PHE . 34.6 mt -97.43 78.26 2.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.526 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.556 179.96 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 . . . . . 0 N--CA 1.461 0.112 0 CA-C-O 120.776 0.322 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -79.28 92.87 5.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.498 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 16.6 mt -94.34 32.5 1.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.493 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 43.9 p -74.84 6.79 3.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.612 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -147.47 73.59 1.29 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.664 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -133.82 158.53 43.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.387 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 319' ' ' LYS . . . . . 0.41 ' N ' ' CD ' ' D' ' 319' ' ' LYS . 3.5 mptp? -99.62 165.02 11.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.55 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 320' ' ' TYR . . . . . 0.476 ' C ' ' CD1' ' D' ' 320' ' ' TYR . 16.0 t80 -65.42 -47.37 76.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.509 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.22 89.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.642 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -64.77 -50.65 65.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.731 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 323' ' ' LEU . . . . . 0.574 HD21 ' CD ' ' D' ' 342' ' ' GLU . 14.7 mt -61.75 -56.0 24.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.597 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 324' ' ' ARG . . . . . . . . . . . . . 15.6 tpt85 -56.35 -43.18 78.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.546 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 325' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' D' ' 329' ' ' THR . 14.4 t70 -67.57 -46.09 73.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.505 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 326' ' ' THR . . . . . 0.479 ' O ' ' N ' ' D' ' 330' ' ' SER . 96.7 m -55.05 -41.02 70.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.49 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 327' ' ' ILE . . . . . 0.52 HG23 HD22 ' D' ' 336' ' ' LEU . 96.5 mt -73.51 -38.01 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.621 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 328' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -79.17 -21.9 45.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.47 ' N ' ' O ' ' D' ' 325' ' ' ASP . 68.2 p -103.5 -49.24 3.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.775 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 330' ' ' SER . . . . . 0.479 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.5 OUTLIER -79.07 178.33 8.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.924 -179.696 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 331' ' ' CYS . . . . . 0.543 ' HB3' ' H ' ' C' ' 247' ' ' GLY . 2.4 p -147.84 10.6 0.93 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.149 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -67.36 93.94 0.36 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.361 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 333' ' ' ILE . . . . . 0.6 ' HA ' HD12 ' D' ' 336' ' ' LEU . 2.1 mt -38.61 -41.2 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.891 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -57.83 -58.76 6.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.278 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 335' ' ' LEU . . . . . 0.501 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 11.1 mt -57.43 -39.21 75.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.057 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 336' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' D' ' 333' ' ' ILE . 95.7 mt -56.91 -42.47 79.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.135 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -66.15 -47.17 74.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.244 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 338' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' D' ' 341' ' ' GLU . . . -70.72 -32.81 70.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.371 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 339' ' ' CYS . . . . . 0.501 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 99.6 m -69.12 -45.21 70.74 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -65.79 -42.82 90.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.913 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 341' ' ' GLU . . . . . 0.462 ' CG ' ' N ' ' D' ' 342' ' ' GLU . 4.7 pt-20 -63.4 -45.19 92.15 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.636 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 342' ' ' GLU . . . . . 0.574 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.3 pt-20 -73.27 -36.59 66.37 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.444 -0.503 . . . . 0.0 110.182 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 343' ' ' PHE . . . . . 0.509 ' CG ' HD13 ' C' ' 273' ' ' LEU . 20.4 t80 -59.04 -40.01 83.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.185 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -75.71 -52.59 10.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.363 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 345' ' ' ARG . . . . . 0.468 HH21 ' CB ' ' D' ' 342' ' ' GLU . 0.5 OUTLIER -46.09 -43.16 14.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.191 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 9.0 mtp85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.559 179.914 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.814 0.34 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.69 92.88 4.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.56 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.521 HD13 ' OE1' ' A' ' 42' ' ' GLU . 9.7 mt -93.96 44.64 1.13 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.408 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.8 p -64.74 -25.94 68.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.801 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -155.05 112.83 3.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.711 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -135.61 179.47 6.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.15 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -116.58 158.53 23.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.424 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -59.49 -51.24 70.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.687 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.03 -44.35 92.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.77 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -55.04 -48.82 72.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.6 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.505 HD21 ' CD ' ' A' ' 42' ' ' GLU . 15.9 mt -62.28 -58.4 7.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.439 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.669 HH12 HH12 ' B' ' 142' ' ' ARG . 1.5 ttt85 -52.95 -49.36 66.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.338 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.527 ' OD2' ' CZ ' ' C' ' 245' ' ' PHE . 4.3 t70 -55.96 -50.59 70.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.214 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.529 ' O ' ' N ' ' A' ' 30' ' ' SER . 33.2 m -50.5 -44.74 56.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.363 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.653 HD11 ' SG ' ' A' ' 39' ' ' CYS . 86.4 mt -73.11 -39.31 56.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.635 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.681 ' N ' HD22 ' A' ' 28' ' ' ASN . 0.7 OUTLIER -77.76 -5.53 50.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.113 -179.427 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 25' ' ' ASP . 68.8 p -125.71 -53.94 1.55 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.031 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.4 t -65.3 170.45 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.056 0.455 . . . . 0.0 111.048 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.8 p -142.69 22.93 1.96 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.326 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.32 97.11 10.61 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.716 -179.522 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.439 ' N ' HD13 ' A' ' 33' ' ' ILE . 5.2 mm -39.34 -38.89 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.568 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.635 ' H ' ' CD ' ' A' ' 34' ' ' GLU . 6.5 mp0 -59.54 -59.02 6.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.387 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.7 mt -59.4 -39.71 84.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.265 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.4 mt -58.18 -43.92 87.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.41 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.3 -49.3 61.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.422 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.4 97.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.267 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.653 ' SG ' HD11 ' A' ' 27' ' ' ILE . 51.5 t -59.82 -53.48 57.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.047 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.661 ' HE ' ' CD1' ' B' ' 171' ' ' LEU . 16.6 mtp-105 -54.26 -42.68 70.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.183 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -56.32 -58.9 6.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.816 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.521 ' OE1' HD13 ' A' ' 15' ' ' LEU . 3.3 pt-20 -65.14 -37.52 87.68 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.756 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.579 ' CD1' HD13 ' B' ' 173' ' ' LEU . 11.9 t80 -58.75 -43.68 90.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.799 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -72.12 -55.6 7.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.434 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.456 ' O ' HG12 ' A' ' 49' ' ' VAL . 73.1 mtp180 -45.86 -45.28 14.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.584 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 67.7 mtt-85 -54.3 -28.02 39.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.54 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.3 mt -92.85 -49.04 6.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.567 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -56.3 -45.7 80.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.645 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.518 ' O ' HG13 ' A' ' 49' ' ' VAL . 7.4 p -45.17 119.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.614 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' VAL . 61.1 m-85 35.43 80.15 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.051 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.3 t60 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.565 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -94.13 117.93 30.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.61 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 21.8 pt -104.39 148.47 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.605 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -99.61 147.32 25.49 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.774 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 92.3 t -131.8 106.04 10.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.167 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -94.28 130.29 40.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.76 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 71.4 p -86.45 -156.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.504 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.952 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.5 OUTLIER -83.32 -37.08 23.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.408 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 6.3 p -77.54 -7.32 56.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.521 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 96.34 19.29 28.38 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -79.33 112.73 16.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.726 0.298 . . . . 0.0 110.511 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.6 m -92.02 139.76 30.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.697 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 1.4 mt -133.33 124.48 49.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.42 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 9.1 m -91.51 126.19 36.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.387 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 29.6 mt -131.49 131.74 43.69 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.925 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -78.93 124.19 28.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.191 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 16.5 m -147.44 177.73 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.908 0.385 . . . . 0.0 110.895 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.598 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 81.1 mt-10 -132.61 150.64 76.36 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.971 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.83 -23.12 2.27 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.511 2.141 . . . . 0.0 112.322 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.4 p -92.4 11.24 26.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.009 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 121' ' ' ASP . . . . . 0.598 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 6.6 m-20 -83.75 131.33 34.92 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.199 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 122' ' ' THR . . . . . 0.508 ' O ' ' N ' ' B' ' 125' ' ' ASN . 4.6 p -84.33 134.63 34.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.849 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 29.1 mm -42.4 -33.33 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.144 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -64.85 -39.71 93.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.186 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 125' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' B' ' 122' ' ' THR . 18.9 m120 -65.09 -39.59 93.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.936 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 21.2 t -64.05 -44.32 97.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.051 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -57.31 -38.03 73.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.096 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.68 -43.5 93.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.194 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -58.45 -49.52 77.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.316 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 30.3 mt -57.79 -49.93 79.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.269 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 131' ' ' GLN . . . . . 0.427 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.9 OUTLIER -50.34 -36.01 30.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.372 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -69.85 -30.65 68.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.434 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -77.5 -63.55 1.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.446 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -79.65 -83.33 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.513 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 156.66 13.11 0.05 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.512 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 52.3 mt -85.2 127.62 63.27 Favored Pre-proline 0 CA--C 1.533 0.294 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -56.23 149.68 53.4 Favored 'Trans proline' 0 C--N 1.314 -1.26 0 C-N-CA 121.673 1.582 . . . . 0.0 111.651 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -50.78 -36.28 51.26 Favored 'Trans proline' 0 C--N 1.31 -1.457 0 C-N-CA 122.318 2.012 . . . . 0.0 111.885 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 139' ' ' ASP . . . . . 0.468 ' C ' ' H ' ' B' ' 141' ' ' GLN . 52.6 t0 -69.26 -48.55 61.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.83 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -72.7 37.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.794 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 141' ' ' GLN . . . . . 0.512 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 79.4 mt-30 -134.39 156.33 48.71 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.626 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 142' ' ' ARG . . . . . 0.687 HH21 ' NE2' ' B' ' 149' ' ' GLN . 12.2 ttt85 -159.35 138.28 11.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.013 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.4 mt -121.16 136.83 54.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.078 0.466 . . . . 0.0 111.057 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.8 mt -126.86 140.74 48.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.148 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 145' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' B' ' 148' ' ' LYS . 50.6 t80 -148.01 153.14 38.58 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.663 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 41.64 26.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.688 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 147' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' B' ' 145' ' ' PHE . . . 72.66 43.46 43.38 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 148' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' B' ' 145' ' ' PHE . 34.8 mtmm -150.03 135.47 18.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.785 0.326 . . . . 0.0 110.594 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 149' ' ' GLN . . . . . 0.687 ' NE2' HH21 ' B' ' 142' ' ' ARG . 16.8 tt0 -75.41 125.69 29.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.362 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 15.1 mt -82.64 137.43 34.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.751 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 151' ' ' GLU . . . . . 0.461 ' OE1' ' NH2' ' B' ' 154' ' ' ARG . 33.8 mt-10 -81.23 160.54 24.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.487 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 152' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' B' ' 152' ' ' ASP . 0.0 OUTLIER -82.72 -17.48 44.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.66 -179.823 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -105.27 40.87 2.32 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.254 -0.739 . . . . 0.0 111.254 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 154' ' ' ARG . . . . . 0.461 ' NH2' ' OE1' ' B' ' 151' ' ' GLU . 30.4 mmt-85 -139.57 167.77 21.35 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 17.7 p -113.04 158.14 20.68 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.961 0.41 . . . . 0.0 110.822 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 91.9 mt -55.99 -26.83 50.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.634 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 9.7 t -69.66 -43.32 72.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.713 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -50.32 -42.11 52.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.708 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -86.42 5.23 36.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.578 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 160' ' ' ASN . . . . . 0.52 ' O ' ' NE2' ' B' ' 162' ' ' GLN . 7.1 m-80 62.94 15.15 8.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.801 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 69.8 mt -59.51 109.41 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.398 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 162' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' B' ' 160' ' ' ASN . 51.0 mm-40 -83.9 -156.98 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.766 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -85.76 157.25 20.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.77 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 56.58 31.48 19.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.809 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 36.4 m -82.35 136.7 34.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.561 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 4.0 m -88.47 108.77 19.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.615 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 12.1 mt -101.93 127.94 48.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.549 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 168' ' ' HIS . . . . . 0.648 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -83.55 115.95 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.25 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 169' ' ' LEU . . . . . 0.435 HD12 ' O ' ' B' ' 142' ' ' ARG . 33.0 tp -92.1 125.17 36.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.438 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.2 t -132.11 157.06 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.3 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.661 ' CD1' ' HE ' ' A' ' 40' ' ' ARG . 13.4 mt -83.0 121.15 26.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.641 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -75.79 61.55 1.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.522 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 173' ' ' LEU . . . . . 0.579 HD13 ' CD1' ' A' ' 43' ' ' PHE . 18.2 mt -43.85 104.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.595 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 174' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' B' ' 173' ' ' LEU . 20.5 mmm180 47.19 -175.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.537 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 173.04 -56.56 0.15 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 201' ' ' MET . . . . . 0.481 ' N ' ' O ' ' C' ' 217' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -87.35 122.23 30.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.422 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 21.1 pt -111.5 148.74 14.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.762 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -98.35 139.34 34.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.543 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 62.9 t -125.63 112.87 32.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.437 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -80.29 118.7 22.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.506 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 207' ' ' THR . . . . . 0.46 HG23 ' O ' ' C' ' 211' ' ' LYS . 29.9 p -72.2 -165.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.417 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 208' ' ' LEU . . . . . 0.981 HD22 ' H ' ' C' ' 208' ' ' LEU . 0.5 OUTLIER -81.09 -54.77 5.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.464 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 82.8 p -57.54 -47.28 82.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.463 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 145.75 8.4 0.32 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 211' ' ' LYS . . . . . 0.46 ' O ' HG23 ' C' ' 207' ' ' THR . 81.0 tttt -83.95 120.85 26.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.799 0.333 . . . . 0.0 110.627 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 22.6 m -85.61 156.1 20.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.461 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 2.4 mt -138.67 127.27 29.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.655 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 32.4 m -96.47 111.44 23.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.195 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 21.0 mt -116.05 135.13 54.23 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.998 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 216' ' ' GLU . . . . . 0.495 ' O ' ' NZ ' ' C' ' 229' ' ' LYS . 57.7 mt-10 -79.95 122.38 26.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.092 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 217' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' C' ' 201' ' ' MET . 9.4 m -146.8 169.41 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.951 0.405 . . . . 0.0 111.039 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 218' ' ' GLU . . . . . 0.615 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 71.4 mt-10 -123.19 150.37 59.75 Favored Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.939 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.14 -24.42 2.38 Favored 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.577 2.184 . . . . 0.0 112.457 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 3.4 p -84.77 -25.42 28.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.049 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 221' ' ' ASP . . . . . 0.615 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 9.6 m-20 -44.33 135.44 4.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.953 0.406 . . . . 0.0 110.658 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 222' ' ' THR . . . . . 0.475 ' O ' ' N ' ' C' ' 225' ' ' ASN . 18.2 p -89.76 137.15 32.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.574 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 223' ' ' ILE . . . . . 0.449 HG22 ' NZ ' ' C' ' 227' ' ' LYS . 21.1 mm -40.74 -53.02 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.557 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -50.41 -35.91 30.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.257 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 225' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' C' ' 222' ' ' THR . 0.9 OUTLIER -65.46 -39.71 92.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.029 179.43 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.34 -44.42 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.855 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 227' ' ' LYS . . . . . 0.449 ' NZ ' HG22 ' C' ' 223' ' ' ILE . 42.4 mttp -57.17 -38.97 74.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.021 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.33 -41.22 98.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.12 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 229' ' ' LYS . . . . . 0.495 ' NZ ' ' O ' ' C' ' 216' ' ' GLU . 54.0 mttt -60.48 -43.8 96.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.094 179.536 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 59.5 mt -67.35 -21.86 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.452 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -76.37 -32.07 58.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.138 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -77.39 -30.89 53.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.423 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -82.58 -55.51 4.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -83.96 -101.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.514 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 235' ' ' GLY . . . . . 0.446 ' H ' ' H ' ' C' ' 236' ' ' ILE . . . 172.01 8.21 0.02 OUTLIER Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 236' ' ' ILE . . . . . 0.535 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 55.8 mt -87.95 120.17 70.69 Favored Pre-proline 0 C--N 1.328 -0.338 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.11 149.37 85.17 Favored 'Trans proline' 0 C--N 1.315 -1.21 0 C-N-CA 121.46 1.44 . . . . 0.0 111.576 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 238' ' ' PRO . . . . . 0.492 ' C ' ' H ' ' C' ' 240' ' ' GLN . 2.7 Cg_endo -49.94 -55.55 4.0 Favored 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.296 1.997 . . . . 0.0 111.822 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -50.78 -9.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.699 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 240' ' ' GLN . . . . . 0.492 ' H ' ' C ' ' C' ' 238' ' ' PRO . 81.7 mt-30 -119.56 31.15 6.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.503 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 241' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 72.2 mt-30 -134.41 169.72 16.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.622 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 242' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -170.4 150.37 3.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.906 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 15.2 mt -128.12 132.33 48.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.112 0.482 . . . . 0.0 110.909 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.7 mt -128.54 120.35 52.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.276 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 245' ' ' PHE . . . . . 0.527 ' CZ ' ' OD2' ' A' ' 25' ' ' ASP . 34.1 t80 -107.83 78.09 1.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.708 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 246' ' ' ALA . . . . . 0.482 ' C ' ' H ' ' C' ' 248' ' ' LYS . . . 68.7 67.29 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 247' ' ' GLY . . . . . 0.512 ' H ' ' HB3' ' D' ' 331' ' ' CYS . . . 70.13 -15.52 1.02 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 248' ' ' LYS . . . . . 0.482 ' H ' ' C ' ' C' ' 246' ' ' ALA . 46.1 mtmt -86.63 93.11 9.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.738 0.304 . . . . 0.0 110.75 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -70.98 127.01 31.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.173 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 9.5 mt -86.44 138.4 31.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.879 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -85.02 159.16 20.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.548 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 252' ' ' ASP . . . . . 0.437 ' OD2' ' NH2' ' C' ' 272' ' ' ARG . 0.4 OUTLIER -80.72 -1.32 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.853 -179.776 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -122.91 38.42 2.52 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.03 176.05 9.04 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 255' ' ' THR . . . . . 0.495 ' C ' ' H ' ' C' ' 257' ' ' SER . 20.6 p -119.23 158.4 26.08 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.601 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 93.6 mt -60.26 -0.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.581 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 257' ' ' SER . . . . . 0.495 ' H ' ' C ' ' C' ' 255' ' ' THR . 44.7 t -96.23 -22.4 17.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.618 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -79.78 12.81 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.641 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -140.62 7.66 2.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.598 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 59.63 23.64 12.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.729 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 79.6 mt -71.14 103.02 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.446 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -81.57 -157.75 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.729 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -84.22 157.04 21.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.668 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 57.31 34.27 24.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.811 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 35.5 m -88.77 135.53 33.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.637 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 19.2 m -89.49 118.05 28.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.445 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 10.9 mt -110.29 124.77 52.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.79 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 268' ' ' HIS . . . . . 0.577 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.7 OUTLIER -77.69 109.85 12.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.267 179.722 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 13.0 tp -78.81 142.86 36.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.756 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 270' ' ' VAL . . . . . 0.662 HG12 ' H ' ' C' ' 271' ' ' LEU . 6.4 t -145.95 173.36 3.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.384 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 271' ' ' LEU . . . . . 0.662 ' H ' HG12 ' C' ' 270' ' ' VAL . 50.8 mt -110.82 122.88 48.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.513 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 272' ' ' ARG . . . . . 0.437 ' NH2' ' OD2' ' C' ' 252' ' ' ASP . 17.9 ttm180 -84.6 110.62 18.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.615 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 273' ' ' LEU . . . . . 0.415 ' CD1' ' CG ' ' D' ' 343' ' ' PHE . 9.0 mt -82.1 143.86 31.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.64 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.59 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 313' ' ' TYR . . . . . 0.475 ' CD1' ' N ' ' D' ' 313' ' ' TYR . 8.3 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.727 0.298 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -80.1 92.78 5.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.465 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 12.2 mt -101.62 45.29 0.97 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.505 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 15.0 m -82.98 -8.32 59.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.785 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -136.05 74.99 1.53 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.738 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -129.96 165.86 21.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.354 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -110.28 164.2 12.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.629 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -61.85 -49.59 75.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.448 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -61.44 -42.57 98.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.71 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -57.99 -54.81 42.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.693 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 323' ' ' LEU . . . . . 0.533 HD21 ' CD ' ' D' ' 342' ' ' GLU . 14.2 mt -58.3 -60.34 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.561 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 324' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -53.0 -41.7 64.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.473 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 325' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' D' ' 329' ' ' THR . 5.1 t70 -65.5 -47.62 75.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.561 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 326' ' ' THR . . . . . 0.56 ' O ' ' N ' ' D' ' 330' ' ' SER . 57.2 m -53.37 -47.82 69.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.697 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 88.4 mt -70.93 -31.44 45.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.561 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 328' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -87.7 -4.62 58.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.445 ' N ' ' O ' ' D' ' 325' ' ' ASP . 71.4 p -127.41 -15.88 5.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.947 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 330' ' ' SER . . . . . 0.56 ' N ' ' O ' ' D' ' 326' ' ' THR . 1.9 t -114.36 165.48 12.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.062 0.458 . . . . 0.0 110.815 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 331' ' ' CYS . . . . . 0.512 ' HB3' ' H ' ' C' ' 247' ' ' GLY . 8.9 p -134.61 11.82 3.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.986 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.44 90.89 0.54 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.446 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 333' ' ' ILE . . . . . 0.691 ' HA ' HD12 ' D' ' 336' ' ' LEU . 2.7 mt -38.0 -38.51 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.856 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -59.05 -58.34 9.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.214 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.26 -44.2 95.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.163 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 336' ' ' LEU . . . . . 0.691 HD12 ' HA ' ' D' ' 333' ' ' ILE . 71.0 mt -50.54 -45.04 56.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.335 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -67.96 -45.89 72.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.483 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -61.43 -46.57 89.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.625 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 339' ' ' CYS . . . . . . . . . . . . . 84.0 m -61.43 -53.28 58.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.364 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 340' ' ' ARG . . . . . 0.496 ' HD2' ' H ' ' C' ' 271' ' ' LEU . 7.2 mtp180 -55.86 -35.32 66.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.266 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -64.35 -53.4 49.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.607 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 342' ' ' GLU . . . . . 0.533 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.5 pt-20 -67.42 -35.9 80.17 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.55 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 343' ' ' PHE . . . . . 0.415 ' CG ' ' CD1' ' C' ' 273' ' ' LEU . 1.7 t80 -60.64 -45.06 95.5 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.295 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 42.2 m170 -67.5 -53.39 29.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.392 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -45.89 -55.47 6.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.407 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 74.5 mtt-85 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.448 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.791 0.329 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 22.6 p30 -78.97 92.84 4.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.492 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.426 ' O ' ' OE2' ' A' ' 42' ' ' GLU . 20.7 mt -100.1 44.98 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.67 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.9 m -90.1 -26.41 20.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.698 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -97.87 40.55 1.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.775 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -110.28 165.36 11.83 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.559 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.518 ' N ' ' OE1' ' A' ' 22' ' ' GLU . 41.0 mttm -115.02 167.57 10.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.581 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -62.18 -48.31 80.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.378 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.6 -38.7 91.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.741 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 19' ' ' LYS . 79.4 mt-10 -62.17 -56.71 16.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.757 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.531 HD21 ' CD ' ' A' ' 42' ' ' GLU . 14.6 mt -56.07 -56.21 23.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.699 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -53.03 -53.25 52.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.548 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 29' ' ' THR . 17.4 m-20 -52.81 -51.09 62.19 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.49 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.624 ' O ' ' N ' ' A' ' 30' ' ' SER . 38.6 m -51.32 -56.69 11.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.528 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.2 mt -59.61 -25.85 32.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.437 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -95.38 -5.64 42.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.283 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 25' ' ' ASP . 30.5 p -135.16 3.61 3.15 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.228 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.624 ' N ' ' O ' ' A' ' 26' ' ' THR . 7.0 t -115.16 167.28 10.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.97 0.414 . . . . 0.0 110.88 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.442 ' SG ' ' C ' ' B' ' 147' ' ' GLY . 75.3 m -144.22 36.38 1.23 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.363 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.45 107.23 16.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.572 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.486 HD13 ' N ' ' A' ' 33' ' ' ILE . 3.4 mm -41.98 -42.39 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.5 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.63 -58.33 9.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.441 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.494 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 40.7 mt -58.69 -46.54 87.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.287 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.8 mt -58.05 -48.1 81.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.364 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.43 -49.15 64.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.685 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.33 -42.71 99.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.563 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 70.7 m -60.36 -49.46 77.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.562 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.569 ' HE ' HD21 ' B' ' 173' ' ' LEU . 16.9 mtp-105 -64.64 -32.18 73.73 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.458 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -62.64 -54.98 31.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.443 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.531 ' CD ' HD21 ' A' ' 23' ' ' LEU . 4.0 pt-20 -64.39 -36.3 83.69 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.447 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.446 ' CG ' HD12 ' B' ' 173' ' ' LEU . 1.8 t80 -57.49 -51.48 69.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.119 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.504 ' CE1' ' NH2' ' A' ' 40' ' ' ARG . 16.6 m170 -62.57 -49.16 76.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.287 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.99 -39.85 42.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.236 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.413 ' NH1' ' HE2' ' A' ' 51' ' ' HIS . 8.8 mtp85 -63.87 -43.51 95.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.664 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.45 -21.21 61.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.418 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -76.04 -58.19 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.471 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.1 m -75.1 -156.39 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.542 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.438 ' CD2' ' O ' ' A' ' 50' ' ' TYR . 27.2 p90 -151.4 117.55 5.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.531 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.413 ' HE2' ' NH1' ' A' ' 46' ' ' ARG . 37.1 m80 . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.57 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.528 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -93.99 107.68 19.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.629 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 17.8 pt -99.1 148.09 6.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.533 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 104' ' ' PHE . . . . . 0.429 ' HD1' ' HG1' ' B' ' 114' ' ' THR . 67.2 m-85 -103.29 146.06 29.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.573 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 46.2 t -126.95 104.16 12.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.181 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.26 158.82 27.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.649 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 39.9 p -126.94 -175.94 3.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.291 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.89 HD22 ' H ' ' B' ' 108' ' ' LEU . 1.2 mm? -76.66 -33.7 58.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.403 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 33.7 p -79.2 9.24 4.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.572 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 86.61 -28.85 5.15 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -45.83 160.66 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 110.522 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 112' ' ' THR . . . . . 0.425 HG22 ' N ' ' B' ' 113' ' ' ILE . 16.7 m -142.35 159.0 43.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.47 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.425 ' N ' HG22 ' B' ' 112' ' ' THR . 2.6 mt -140.39 128.2 24.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.696 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 114' ' ' THR . . . . . 0.429 ' HG1' ' HD1' ' B' ' 104' ' ' PHE . 5.8 m -100.46 124.49 46.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.248 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.416 HD22 ' NZ ' ' B' ' 133' ' ' LYS . 28.1 mt -130.2 136.11 48.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.885 0.374 . . . . 0.0 110.822 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -81.79 124.73 29.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.155 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 117' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' B' ' 101' ' ' MET . 9.2 m -147.05 -175.81 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.919 0.39 . . . . 0.0 110.868 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.594 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 14.6 mm-40 -132.23 147.4 65.59 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.918 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.77 -18.3 0.51 Allowed 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 122.419 2.079 . . . . 0.0 112.211 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 3.6 p -89.29 -24.33 22.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.852 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 121' ' ' ASP . . . . . 0.594 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 1.2 m-20 -45.18 139.07 3.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.99 0.424 . . . . 0.0 110.66 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 122' ' ' THR . . . . . 0.458 ' O ' ' N ' ' B' ' 125' ' ' ASN . 19.2 p -89.68 135.68 33.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.698 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 20.8 mm -42.69 -47.69 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.316 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -53.67 -37.11 62.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.102 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 125' ' ' ASN . . . . . 0.504 ' OD1' ' NZ ' ' B' ' 129' ' ' LYS . 38.2 t-20 -64.94 -40.59 95.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.191 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 85.5 t -63.11 -45.56 98.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.155 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -56.85 -39.11 73.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.113 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 128' ' ' ALA . . . . . 0.417 ' O ' ' OD1' ' B' ' 132' ' ' ASP . . . -63.22 -44.82 94.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.295 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.504 ' NZ ' ' OD1' ' B' ' 125' ' ' ASN . 49.2 mttp -57.83 -52.46 65.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.324 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 87.1 mt -55.0 -43.7 70.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.414 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 131' ' ' GLN . . . . . 0.583 ' NE2' ' O ' ' B' ' 131' ' ' GLN . 1.7 tm0? -57.3 -29.56 64.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.226 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 132' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' B' ' 128' ' ' ALA . 3.8 m-20 -72.5 -40.38 66.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.471 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 133' ' ' LYS . . . . . 0.416 ' NZ ' HD22 ' B' ' 115' ' ' LEU . 11.7 mptt -70.69 -64.27 0.93 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.305 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -78.68 -83.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.605 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 158.5 -7.49 0.17 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 48.6 mt -56.45 114.55 7.97 Favored Pre-proline 0 C--N 1.328 -0.355 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -62.15 147.68 94.61 Favored 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 121.467 1.445 . . . . 0.0 111.479 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.486 ' C ' ' H ' ' B' ' 140' ' ' GLN . 2.8 Cg_endo -49.77 -41.21 47.01 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.262 1.974 . . . . 0.0 111.801 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.34 10.99 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.72 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.486 ' H ' ' C ' ' B' ' 138' ' ' PRO . 60.7 mt-30 -141.23 41.96 1.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.478 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -134.43 166.12 23.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.653 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 142' ' ' ARG . . . . . 0.526 ' NH2' ' OE1' ' B' ' 149' ' ' GLN . 34.9 ttt85 -170.04 108.05 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.32 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 16.3 mt -95.6 135.58 37.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.02 0.438 . . . . 0.0 111.074 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.7 mt -128.16 141.97 45.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.075 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 145' ' ' PHE . . . . . 0.5 ' C ' ' H ' ' B' ' 147' ' ' GLY . 39.5 t80 -158.01 147.21 19.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.922 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 146' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' B' ' 145' ' ' PHE . . . 66.88 -9.98 0.33 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.285 179.423 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 147' ' ' GLY . . . . . 0.5 ' H ' ' C ' ' B' ' 145' ' ' PHE . . . 110.08 24.02 5.89 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -146.04 157.07 43.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.905 0.384 . . . . 0.0 110.629 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 149' ' ' GLN . . . . . 0.526 ' OE1' ' NH2' ' B' ' 142' ' ' ARG . 34.8 tt0 -84.7 135.89 33.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.353 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 12.9 mt -86.27 130.82 34.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.637 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 151' ' ' GLU . . . . . 0.417 ' CD ' ' H ' ' B' ' 152' ' ' ASP . 1.3 tm-20 -73.61 159.57 32.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.424 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 152' ' ' ASP . . . . . 0.417 ' H ' ' CD ' ' B' ' 151' ' ' GLU . 1.7 m-20 -78.15 -40.36 38.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.719 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -85.48 45.66 3.53 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 22.7 mmt-85 -139.74 174.25 10.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.686 0.279 . . . . 0.0 110.412 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 31.0 p -119.92 166.91 12.7 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.902 0.382 . . . . 0.0 110.825 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.2 -0.84 3.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.695 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 157' ' ' SER . . . . . 0.437 ' C ' ' H ' ' B' ' 159' ' ' TYR . 46.0 t -93.4 -33.76 13.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.635 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.63 15.46 0.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.636 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 159' ' ' TYR . . . . . 0.437 ' H ' ' C ' ' B' ' 157' ' ' SER . 59.5 m-85 -140.74 8.67 2.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.507 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 55.85 30.01 15.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.795 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 97.0 mt -81.17 99.99 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.453 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -82.65 -157.47 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.704 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -82.97 161.58 21.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.764 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 54.26 18.01 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.527 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 18.1 m -81.23 133.79 35.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.536 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 166' ' ' THR . . . . . 0.469 ' O ' ' CD1' ' B' ' 145' ' ' PHE . 5.9 m -81.86 154.76 25.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.604 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.2 mt -139.62 114.97 9.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.124 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 168' ' ' HIS . . . . . 0.635 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.1 OUTLIER -69.74 116.99 10.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.433 -179.801 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.87 127.48 41.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.553 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 1.4 t -136.35 140.29 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.276 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.876 HD22 ' H ' ' B' ' 171' ' ' LEU . 0.3 OUTLIER -91.56 136.09 33.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.745 -179.476 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -89.78 97.85 11.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.394 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 173' ' ' LEU . . . . . 0.569 HD21 ' HE ' ' A' ' 40' ' ' ARG . 16.2 mt -61.11 128.95 38.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.532 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -75.28 141.64 43.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.564 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 173.47 152.93 9.2 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 201' ' ' MET . . . . . 0.515 ' N ' ' O ' ' C' ' 217' ' ' VAL . 1.9 ptt? . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -89.92 111.37 22.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.604 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 6.1 pt -103.74 150.16 7.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.65 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -94.56 149.93 20.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.336 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 71.5 t -136.85 106.54 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.352 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 206' ' ' LYS . . . . . 0.446 ' CB ' ' NZ ' ' C' ' 206' ' ' LYS . 7.2 mtpm? -91.89 140.61 29.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.643 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 58.3 p -89.24 -168.26 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.23 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 208' ' ' LEU . . . . . 0.946 HD22 ' H ' ' C' ' 208' ' ' LEU . 0.4 OUTLIER -86.56 23.12 1.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.467 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 17.7 p -136.51 -38.95 0.66 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.446 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 141.64 -0.73 1.71 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -69.52 111.56 5.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.645 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 22.6 m -97.32 141.71 30.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.516 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.86 127.06 55.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.633 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 23.0 m -91.78 112.39 24.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.185 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 17.8 mt -111.33 129.08 56.11 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.052 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -85.03 112.22 20.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.031 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 217' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' C' ' 201' ' ' MET . 23.6 m -137.5 -162.05 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.026 0.441 . . . . 0.0 111.001 -179.336 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 218' ' ' GLU . . . . . 0.524 ' N ' ' OD2' ' C' ' 221' ' ' ASP . 6.5 mt-10 -141.01 170.37 9.56 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.615 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -74.51 -14.64 22.34 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 C-N-CA 122.351 2.034 . . . . 0.0 112.499 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 8.3 t -100.09 -11.04 20.86 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.924 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 221' ' ' ASP . . . . . 0.524 ' OD2' ' N ' ' C' ' 218' ' ' GLU . 45.6 m-20 -59.88 142.55 53.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.935 0.397 . . . . 0.0 110.533 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 23.4 p -84.61 135.81 34.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 23.8 mm -45.96 -49.49 4.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.263 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -50.27 -40.99 49.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.294 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 225' ' ' ASN . . . . . 0.501 ' OD1' ' NZ ' ' C' ' 229' ' ' LYS . 44.6 t-20 -62.63 -36.64 83.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.026 179.503 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 16.5 t -64.85 -51.75 63.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.023 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -51.65 -38.14 53.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.14 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.91 -43.91 94.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.196 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 229' ' ' LYS . . . . . 0.501 ' NZ ' ' OD1' ' C' ' 225' ' ' ASN . 38.6 mttp -57.68 -39.84 78.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.005 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 9.0 mt -67.17 -34.95 72.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.0 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -63.61 -29.2 70.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.143 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -79.78 -30.68 40.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.496 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 48.5 mmtt -77.55 -62.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.674 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -87.44 -107.32 0.07 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.706 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -171.96 17.17 0.05 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 236' ' ' ILE . . . . . 0.495 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 18.0 mt -91.65 112.92 56.88 Favored Pre-proline 0 CA--C 1.532 0.27 0 N-CA-C 110.472 -0.196 . . . . 0.0 110.472 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -63.4 152.72 78.67 Favored 'Trans proline' 0 C--N 1.314 -1.249 0 C-N-CA 121.611 1.541 . . . . 0.0 111.662 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 238' ' ' PRO . . . . . 0.525 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.7 Cg_endo -47.34 -66.18 0.15 Allowed 'Trans proline' 0 C--N 1.31 -1.499 0 C-N-CA 122.608 2.206 . . . . 0.0 111.923 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -42.38 -20.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.732 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 240' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' C' ' 238' ' ' PRO . 67.3 mt-30 -108.57 34.23 3.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.631 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 241' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' C' ' 238' ' ' PRO . 61.4 mt-30 -134.56 162.64 31.72 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.649 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 242' ' ' ARG . . . . . . . . . . . . . 43.7 ttt85 -170.2 109.02 0.37 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.98 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 22.0 mt -93.13 137.85 32.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.138 0.494 . . . . 0.0 111.255 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 244' ' ' ILE . . . . . 0.448 HG21 ' SG ' ' D' ' 331' ' ' CYS . 1.7 mt -125.07 145.82 31.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.679 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 245' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -132.45 72.92 1.5 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.841 0.353 . . . . 0.0 111.222 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 60.11 87.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.073 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 247' ' ' GLY . . . . . . . . . . . . . . . 50.95 37.86 36.98 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -149.8 92.65 1.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.738 0.304 . . . . 0.0 110.645 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 249' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' C' ' 250' ' ' LEU . 20.3 tm0? -70.28 121.14 17.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.045 179.539 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 250' ' ' LEU . . . . . 0.522 ' O ' ' NE2' ' C' ' 249' ' ' GLN . 10.2 mt -76.75 123.19 25.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.337 . . . . 0.0 110.881 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -72.82 159.48 33.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.318 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 252' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' C' ' 252' ' ' ASP . 0.4 OUTLIER -79.69 -36.43 37.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.974 -179.751 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -90.07 38.9 3.15 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -139.68 -179.7 6.07 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 255' ' ' THR . . . . . 0.478 ' HG1' ' HG ' ' C' ' 257' ' ' SER . 82.7 p -118.4 175.45 5.71 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.826 0.346 . . . . 0.0 110.777 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 70.3 mt -76.43 1.51 16.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.777 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 257' ' ' SER . . . . . 0.494 ' C ' ' H ' ' C' ' 259' ' ' TYR . 2.9 p -93.86 -33.37 13.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.757 0.313 . . . . 0.0 110.637 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -70.15 14.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.638 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 259' ' ' TYR . . . . . 0.494 ' H ' ' C ' ' C' ' 257' ' ' SER . 76.3 m-85 -140.61 9.76 2.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.548 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 260' ' ' ASN . . . . . 0.46 ' O ' ' ND2' ' C' ' 260' ' ' ASN . 7.7 t30 51.23 38.05 20.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.745 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 80.9 mt -84.33 103.63 11.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.479 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -81.62 -158.83 0.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.637 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -85.2 157.66 20.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.633 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 58.42 26.52 14.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.8 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 30.6 m -82.14 137.16 35.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.541 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 3.6 m -83.26 120.06 25.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.644 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 3.3 mp -114.35 127.02 55.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.219 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 268' ' ' HIS . . . . . 0.683 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.0 OUTLIER -84.9 116.93 23.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.253 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 19.1 tp -93.0 116.92 29.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.386 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -122.77 134.41 66.03 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 271' ' ' LEU . . . . . 0.625 ' N ' HD12 ' C' ' 271' ' ' LEU . 8.1 mp -74.63 108.41 7.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.671 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 272' ' ' ARG . . . . . 0.632 ' NE ' HH22 ' D' ' 324' ' ' ARG . 39.5 ttt180 -67.64 100.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.532 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 273' ' ' LEU . . . . . 0.421 HD13 ' CD1' ' D' ' 343' ' ' PHE . 22.3 mt -79.63 91.79 5.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.613 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.622 179.926 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.766 0.317 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -79.53 92.96 5.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.578 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 14.6 mt -104.64 31.39 4.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.553 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 27.5 p -82.53 18.56 1.46 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.654 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -146.13 40.95 1.16 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.635 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -108.94 174.69 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.519 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -118.02 167.04 11.82 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.61 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -60.8 -48.28 82.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.529 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -66.41 -41.12 89.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -57.8 -49.36 76.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.74 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 323' ' ' LEU . . . . . 0.587 HD21 ' CD ' ' D' ' 342' ' ' GLU . 14.5 mt -65.13 -56.77 11.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.704 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 324' ' ' ARG . . . . . 0.632 HH22 ' NE ' ' C' ' 272' ' ' ARG . 2.6 ttt85 -53.08 -44.76 67.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.66 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 325' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' D' ' 329' ' ' THR . 8.9 m-20 -58.96 -50.63 73.34 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.357 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 326' ' ' THR . . . . . 0.54 ' O ' ' N ' ' D' ' 330' ' ' SER . 19.1 m -53.33 -44.32 68.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.511 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 79.5 mt -74.82 -28.52 21.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.516 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 328' ' ' ASN . . . . . 0.533 ' N ' HD22 ' D' ' 328' ' ' ASN . 1.1 m-80 -92.06 -1.74 57.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.036 -179.632 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.467 ' N ' ' O ' ' D' ' 325' ' ' ASP . 80.7 p -132.85 -46.14 0.87 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.152 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 330' ' ' SER . . . . . 0.54 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.7 OUTLIER -71.66 170.59 13.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.114 0.483 . . . . 0.0 111.214 -179.39 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 331' ' ' CYS . . . . . 0.448 ' SG ' HG21 ' C' ' 244' ' ' ILE . 90.6 m -147.54 40.23 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.388 -179.473 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.05 99.24 8.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.583 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 333' ' ' ILE . . . . . 0.408 ' N ' HD13 ' D' ' 333' ' ' ILE . 6.1 mm -38.66 -37.98 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.635 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -61.19 -58.78 6.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.28 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 335' ' ' LEU . . . . . 0.486 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 12.0 mt -60.19 -49.18 78.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.259 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 73.2 mt -50.45 -45.37 55.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.486 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -64.65 -49.26 71.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.648 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -61.09 -43.98 98.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.39 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 339' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 67.4 m -57.03 -53.45 57.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.298 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 12.8 mtp85 -55.96 -43.44 77.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.456 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -54.95 -58.5 7.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 342' ' ' GLU . . . . . 0.587 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.6 pt-20 -63.61 -34.34 77.6 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.854 -179.481 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 343' ' ' PHE . . . . . 0.421 ' CD1' HD13 ' C' ' 273' ' ' LEU . 2.4 t80 -63.71 -43.14 97.44 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.539 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -68.28 -47.97 66.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -52.05 -54.69 27.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.31 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.57 179.903 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.805 0.336 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -79.5 92.83 5.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.618 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.1 mt -97.41 45.14 1.04 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.464 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.3 m -82.76 15.59 2.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -171.24 82.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.929 0.395 . . . . 0.0 110.757 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -131.17 161.4 32.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.225 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.5 mttm -108.5 168.51 9.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.777 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.469 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 16.8 t80 -65.79 -47.16 76.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.52 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.81 -34.63 76.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.677 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -68.96 -55.01 12.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.652 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.569 HD21 ' CD ' ' A' ' 42' ' ' GLU . 14.8 mt -57.86 -55.7 31.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.585 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.671 HH21 ' NH1' ' B' ' 172' ' ' ARG . 7.0 tpt85 -54.76 -49.55 70.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.431 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.531 ' OD2' ' CE2' ' C' ' 245' ' ' PHE . 3.9 t70 -57.9 -49.65 76.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.423 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.471 ' O ' ' CB ' ' A' ' 30' ' ' SER . 19.0 m -52.77 -43.51 65.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.662 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.4 mt -76.23 -23.6 15.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.677 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 1.9 m-80 -99.32 0.83 43.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.022 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 25' ' ' ASP . 75.9 p -133.46 -24.12 1.82 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.005 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 26' ' ' THR . 0.9 OUTLIER -103.43 157.96 16.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.891 0.377 . . . . 0.0 110.925 -179.751 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.55 ' SG ' ' CG ' ' B' ' 168' ' ' HIS . 29.0 t -129.5 29.47 5.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.355 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.1 m-20 -90.76 93.46 9.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.45 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.638 ' HA ' HD12 ' A' ' 36' ' ' LEU . 3.0 mt -38.73 -40.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.783 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -57.47 -58.91 6.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.308 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.3 mt -58.72 -43.34 90.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.041 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 33' ' ' ILE . 81.5 mt -52.71 -43.7 65.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.17 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.1 -49.07 68.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.325 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.85 94.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.415 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 85.0 m -61.6 -53.54 54.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.282 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.483 HH21 HD22 ' B' ' 171' ' ' LEU . 17.4 mtp-105 -53.62 -39.13 64.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.307 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -61.2 -60.26 4.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.667 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.569 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.9 pt-20 -62.79 -36.23 82.43 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.485 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.469 ' CG ' HD13 ' B' ' 173' ' ' LEU . 12.3 t80 -59.5 -41.2 89.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.428 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -72.91 -55.04 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.535 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -45.86 -45.72 15.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.591 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -52.39 -33.2 42.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.42 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.4 mt -86.78 -33.82 19.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.482 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -80.36 -72.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.624 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.43 ' H ' HG22 ' A' ' 49' ' ' VAL . 6.3 m -90.91 177.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.574 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' VAL . 95.0 m-85 37.38 65.0 0.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 6.2 p-80 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.007 -0.996 . . . . 0.0 110.503 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.513 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -90.44 120.04 31.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.577 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 21.6 pt -106.91 148.87 10.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.626 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -102.09 146.06 28.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.546 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 31.6 t -129.98 106.71 13.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.185 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 106' ' ' LYS . . . . . 0.515 ' NZ ' ' OG1' ' B' ' 112' ' ' THR . 34.7 mttm -95.49 131.39 41.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.64 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 21.7 p -95.81 -150.07 0.32 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.42 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.942 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.4 OUTLIER -85.6 -46.1 11.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.439 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 50.3 p -70.51 11.99 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.547 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 110' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' B' ' 108' ' ' LEU . . . 73.97 12.74 81.21 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -72.67 119.25 16.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.762 0.315 . . . . 0.0 110.551 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 112' ' ' THR . . . . . 0.515 ' OG1' ' NZ ' ' B' ' 106' ' ' LYS . 8.8 m -99.39 142.77 30.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.481 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 1.3 mt -133.09 124.69 50.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.541 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 6.4 m -94.15 125.13 38.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.254 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 27.3 mt -130.44 130.62 44.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.855 0.36 . . . . 0.0 110.861 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -77.31 121.4 23.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.119 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 117' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' B' ' 101' ' ' MET . 11.0 m -146.82 -175.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.916 -179.498 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.51 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 23.9 mm-40 -142.83 150.48 53.55 Favored Pre-proline 0 CA--C 1.53 0.204 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.178 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -46.71 -9.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.73 2.287 . . . . 0.0 112.47 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 120' ' ' SER . . . . . 0.497 ' N ' ' O ' ' B' ' 118' ' ' GLU . 2.2 p -96.88 -30.83 12.91 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.972 -0.291 . . . . 0.0 110.929 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 121' ' ' ASP . . . . . 0.51 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 2.4 m-20 -43.85 139.45 2.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.995 0.426 . . . . 0.0 110.822 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 67.6 p -87.86 138.31 31.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.516 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 22.3 mm -46.48 -44.78 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.378 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -56.42 -38.19 71.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.392 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -64.01 -41.35 97.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.05 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 46.2 t -62.23 -44.02 98.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.943 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 127' ' ' LYS . . . . . 0.559 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 55.4 mttm -56.77 -40.74 76.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.058 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.37 98.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.29 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.426 ' HB3' ' HZ3' ' B' ' 133' ' ' LYS . 58.5 mttm -58.13 -50.39 73.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.377 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 67.0 mt -57.05 -49.01 80.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.391 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 131' ' ' GLN . . . . . 0.433 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 1.0 OUTLIER -53.11 -30.72 38.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.343 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -71.05 -42.0 70.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.437 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 133' ' ' LYS . . . . . 0.426 ' HZ3' ' HB3' ' B' ' 129' ' ' LYS . 11.9 mptt -69.53 -64.08 0.95 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.24 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -77.11 -89.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.562 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 135' ' ' GLY . . . . . 0.41 ' H ' ' H ' ' B' ' 136' ' ' ILE . . . 161.41 5.01 0.05 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.41 ' H ' ' H ' ' B' ' 135' ' ' GLY . 37.6 mt -74.87 128.09 85.84 Favored Pre-proline 0 C--N 1.33 -0.28 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -56.04 150.15 49.06 Favored 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 121.666 1.577 . . . . 0.0 111.67 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -50.11 -39.37 51.27 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.336 2.024 . . . . 0.0 111.966 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.88 -44.65 80.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -79.15 31.36 0.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 141' ' ' GLN . . . . . 0.559 ' NE2' ' O ' ' B' ' 127' ' ' LYS . 20.5 mt-30 -129.78 82.98 2.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.499 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 142' ' ' ARG . . . . . 0.663 HH21 ' NH2' ' A' ' 24' ' ' ARG . 31.5 ttm-85 -90.05 113.86 25.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.588 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.401 HD12 ' HZ3' ' B' ' 127' ' ' LYS . 19.1 mt -94.54 131.37 40.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.526 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 144' ' ' ILE . . . . . 0.474 HG22 ' SG ' ' A' ' 31' ' ' CYS . 1.5 mt -124.88 142.75 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.528 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -164.85 148.39 8.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.736 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 61.58 20.17 11.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.022 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 75.48 27.62 63.11 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -146.62 148.89 32.55 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.837 0.351 . . . . 0.0 110.629 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -82.74 131.3 35.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.314 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 16.8 mt -79.23 136.89 37.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.38 . . . . 0.0 110.801 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -82.05 162.84 22.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.56 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.39 -41.9 15.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -83.2 41.14 2.88 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -139.67 179.98 6.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.765 0.317 . . . . 0.0 110.382 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 155' ' ' THR . . . . . 0.426 ' OG1' ' OD1' ' B' ' 158' ' ' ASP . 67.5 p -119.97 168.42 11.17 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.722 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.05 -40.15 94.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.707 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 157' ' ' SER . . . . . 0.506 ' C ' ' H ' ' B' ' 159' ' ' TYR . 5.7 t -58.38 -42.1 86.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.784 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 158' ' ' ASP . . . . . 0.426 ' OD1' ' OG1' ' B' ' 155' ' ' THR . 0.9 OUTLIER -54.85 -5.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.752 -179.738 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 159' ' ' TYR . . . . . 0.506 ' H ' ' C ' ' B' ' 157' ' ' SER . 69.6 m-85 -125.24 20.42 8.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.576 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 46.56 31.44 1.35 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.734 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 90.8 mt -79.81 102.09 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.426 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -79.32 -157.38 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.767 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -85.5 156.62 20.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.788 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 56.77 33.76 23.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.707 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 60.7 m -84.2 135.52 34.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.584 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 4.4 m -89.43 105.07 17.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.521 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.1 mt -92.34 129.37 38.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.712 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 168' ' ' HIS . . . . . 0.817 ' N ' ' CD2' ' B' ' 168' ' ' HIS . 1.4 m-70 -85.69 101.8 13.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.269 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 62.8 tp -81.93 141.77 33.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.654 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.3 t -144.27 158.59 15.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.384 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.611 ' N ' HD12 ' B' ' 171' ' ' LEU . 7.4 mp -100.1 105.89 17.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.454 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 172' ' ' ARG . . . . . 0.671 ' NH1' HH21 ' A' ' 24' ' ' ARG . 14.8 ttt85 -53.39 120.71 6.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.644 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 173' ' ' LEU . . . . . 0.469 HD13 ' CG ' ' A' ' 43' ' ' PHE . 28.3 mt -99.31 101.07 12.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.478 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 72.1 mmt-85 51.05 -165.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.513 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 161.97 48.87 0.02 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.655 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 201' ' ' MET . . . . . . . . . . . . . 1.6 ptt? . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -94.13 126.97 39.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.545 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 19.4 pt -116.23 149.85 18.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.647 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -98.64 140.66 32.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.687 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 87.8 t -129.22 109.27 18.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.41 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -94.7 133.13 38.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.651 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 63.5 p -87.47 -154.62 0.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.314 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 208' ' ' LEU . . . . . 0.919 HD22 ' H ' ' C' ' 208' ' ' LEU . 0.5 OUTLIER -84.96 -37.01 20.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.432 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 5.2 p -78.73 -4.66 50.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.534 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 93.85 21.92 27.12 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -81.22 111.77 17.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 110.492 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 19.8 m -90.09 141.99 28.15 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.722 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 2.8 mt -136.76 126.8 39.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.531 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 29.1 m -92.31 111.16 22.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.187 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 20.7 mt -115.61 132.79 56.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.963 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -80.4 123.22 27.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.155 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 217' ' ' VAL . . . . . . . . . . . . . 12.2 m -147.05 169.14 4.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.944 0.402 . . . . 0.0 110.901 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 218' ' ' GLU . . . . . 0.622 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 18.3 mp0 -124.7 149.4 62.19 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.08 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.39 -24.81 4.34 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.475 2.117 . . . . 0.0 112.374 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.6 p -92.45 10.46 29.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.062 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 221' ' ' ASP . . . . . 0.622 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 39.3 m-20 -82.59 135.96 34.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.348 . . . . 0.0 110.299 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 10.8 p -83.63 136.3 34.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 27.2 mm -45.16 -45.36 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.277 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -55.71 -36.24 66.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.152 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 225' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -65.3 -40.18 93.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.98 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 12.0 t -63.87 -54.44 31.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.003 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -48.18 -41.04 25.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.204 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -61.39 -46.0 92.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.29 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -56.16 -40.7 74.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.295 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 4.9 mt -64.27 -48.34 85.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.211 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -53.31 -28.61 29.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.247 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -78.51 -30.28 47.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.614 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -81.18 -66.71 0.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.59 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -80.66 -108.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.624 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -173.92 14.99 0.04 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 236' ' ' ILE . . . . . . . . . . . . . 45.4 mt -85.49 115.27 60.75 Favored Pre-proline 0 C--N 1.33 -0.282 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -62.79 149.69 90.54 Favored 'Trans proline' 0 C--N 1.314 -1.258 0 C-N-CA 121.57 1.514 . . . . 0.0 111.595 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 238' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.6 Cg_endo -48.29 -59.71 1.14 Allowed 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 122.362 2.041 . . . . 0.0 111.907 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -44.45 -21.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.61 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 240' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' C' ' 238' ' ' PRO . 77.0 mt-30 -109.08 38.03 2.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.627 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 241' ' ' GLN . . . . . 0.559 ' O ' ' NE ' ' C' ' 272' ' ' ARG . 69.7 mt-30 -134.65 159.43 41.26 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.489 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 242' ' ' ARG . . . . . 0.456 ' NH2' ' OD1' ' D' ' 328' ' ' ASN . 25.1 ttm180 -170.31 110.3 0.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.279 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 18.5 mt -89.21 131.54 35.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.184 0.516 . . . . 0.0 110.939 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 244' ' ' ILE . . . . . 0.511 HG22 ' SG ' ' D' ' 331' ' ' CYS . 2.0 mt -129.64 122.85 56.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.068 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 245' ' ' PHE . . . . . 0.531 ' CE2' ' OD2' ' A' ' 25' ' ' ASP . 26.7 t80 -107.23 82.55 1.69 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.998 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 51.33 80.17 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 247' ' ' GLY . . . . . 0.675 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 60.39 43.28 98.85 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -151.0 94.56 2.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.758 0.313 . . . . 0.0 110.7 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -74.59 119.04 18.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.112 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 10.8 mt -82.39 135.44 35.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.864 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -80.53 161.6 24.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.534 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.67 -20.22 40.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.001 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -105.59 39.78 2.73 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -139.49 175.42 9.58 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 255' ' ' THR . . . . . 0.419 ' OG1' ' OD1' ' C' ' 258' ' ' ASP . 24.5 p -114.49 165.32 12.87 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.886 0.374 . . . . 0.0 110.659 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.42 -48.46 81.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.697 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 257' ' ' SER . . . . . 0.495 ' C ' ' H ' ' C' ' 259' ' ' TYR . 11.5 p -53.19 -38.62 62.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.841 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 258' ' ' ASP . . . . . 0.419 ' OD1' ' OG1' ' C' ' 255' ' ' THR . 10.4 m-20 -54.81 -5.09 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.851 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 259' ' ' TYR . . . . . 0.495 ' H ' ' C ' ' C' ' 257' ' ' SER . 75.0 m-85 -129.45 22.58 5.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.611 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 48.9 29.04 2.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.796 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 92.1 mt -80.02 98.92 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.451 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -81.05 -157.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.732 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.16 161.22 22.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.728 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 55.54 33.93 22.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.691 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 39.7 m -87.84 131.23 34.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.58 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 24.1 m -90.74 117.72 29.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.583 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 10.7 mt -111.99 153.26 27.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.431 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 268' ' ' HIS . . . . . 0.419 ' NE2' HD11 ' D' ' 333' ' ' ILE . 59.3 m80 -109.59 120.3 42.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.844 0.354 . . . . 0.0 110.251 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 269' ' ' LEU . . . . . 0.674 HD23 ' N ' ' C' ' 270' ' ' VAL . 6.0 tt -93.0 123.39 36.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 -179.323 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 270' ' ' VAL . . . . . 0.674 ' N ' HD23 ' C' ' 269' ' ' LEU . 1.6 t -127.02 136.16 61.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.209 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 271' ' ' LEU . . . . . 0.696 ' N ' HD12 ' C' ' 271' ' ' LEU . 7.4 mp -78.35 134.01 37.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.769 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 272' ' ' ARG . . . . . 0.559 ' NE ' ' O ' ' C' ' 241' ' ' GLN . 13.6 mtt180 -73.16 140.17 46.85 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.307 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 273' ' ' LEU . . . . . 0.411 HD13 ' CD1' ' D' ' 343' ' ' PHE . 19.3 mt -116.06 60.59 0.72 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.531 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 23.3 ptt85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.593 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.75 0.309 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 314' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' D' ' 314' ' ' ASP . 31.6 p30 -79.92 92.88 5.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.542 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 17.4 mt -98.14 39.36 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.513 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 7.2 t -80.91 6.29 13.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.668 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -147.45 72.33 1.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.657 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 11.1 m95 -132.14 165.74 23.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.395 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -109.31 158.22 18.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.43 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -56.37 -52.58 64.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.522 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -61.1 -44.73 96.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -53.46 -51.59 62.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.656 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 323' ' ' LEU . . . . . 0.501 HD21 ' CD ' ' D' ' 342' ' ' GLU . 12.9 mt -60.0 -57.62 12.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.468 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 324' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -53.5 -53.02 57.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.642 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 325' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' D' ' 329' ' ' THR . 17.8 m-20 -56.31 -49.45 74.26 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.573 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 326' ' ' THR . . . . . 0.53 ' O ' ' N ' ' D' ' 330' ' ' SER . 64.1 m -50.94 -45.19 60.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.61 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 327' ' ' ILE . . . . . 0.43 HG23 HD22 ' D' ' 336' ' ' LEU . 95.1 mt -68.31 -33.99 63.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.61 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 328' ' ' ASN . . . . . 0.456 ' OD1' ' NH2' ' C' ' 242' ' ' ARG . 12.2 m-80 -92.91 1.45 57.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.915 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.509 ' N ' ' O ' ' D' ' 325' ' ' ASP . 73.6 p -129.81 -10.59 4.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.869 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 330' ' ' SER . . . . . 0.53 ' N ' ' O ' ' D' ' 326' ' ' THR . 3.0 t -118.7 170.04 9.31 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.967 0.413 . . . . 0.0 110.97 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 331' ' ' CYS . . . . . 0.675 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 38.4 t -139.88 24.41 2.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.406 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -87.23 97.36 10.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.344 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 333' ' ' ILE . . . . . 0.419 HD11 ' NE2' ' C' ' 268' ' ' HIS . 1.6 mt -38.71 -45.94 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.894 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -54.68 -58.84 5.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.425 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 335' ' ' LEU . . . . . 0.492 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 10.7 mt -56.43 -39.92 73.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.14 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 336' ' ' LEU . . . . . 0.43 HD22 HG23 ' D' ' 327' ' ' ILE . 96.8 mt -59.92 -42.62 94.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.472 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -68.99 -49.21 59.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.359 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.95 99.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.445 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 339' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 81.6 m -60.33 -53.7 54.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.089 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 12.3 mtp85 -55.12 -42.03 72.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.194 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -56.4 -56.9 15.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.832 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 342' ' ' GLU . . . . . 0.501 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.5 pt-20 -68.28 -38.52 81.79 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.678 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 343' ' ' PHE . . . . . 0.411 ' CD1' HD13 ' C' ' 273' ' ' LEU . 12.5 t80 -58.24 -33.21 69.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.542 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -85.99 -52.55 5.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.249 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -48.24 -34.0 9.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.155 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 70.8 mtt-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.616 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.801 0.334 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 4.4 p-10 -83.63 92.78 7.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.53 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.408 HD13 ' OE1' ' A' ' 42' ' ' GLU . 12.1 mt -98.28 45.11 1.02 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.497 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 82.7 p -84.47 16.02 3.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.722 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.2 pttm -169.55 84.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.935 0.398 . . . . 0.0 110.654 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -134.8 170.78 15.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.264 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -115.87 163.95 15.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.644 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -64.24 -49.72 70.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.483 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.66 -36.68 81.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.609 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -64.99 -56.64 11.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.503 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.425 HD21 ' CD ' ' A' ' 42' ' ' GLU . 15.2 mt -55.87 -56.76 16.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.459 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -52.95 -40.71 63.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.44 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 29' ' ' THR . 14.3 m-20 -64.89 -48.37 74.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.389 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 30' ' ' SER . 7.8 m -54.08 -43.78 70.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.639 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.695 HD11 ' SG ' ' A' ' 39' ' ' CYS . 96.7 mt -76.05 -27.07 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.73 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.873 ' ND2' HH12 ' B' ' 142' ' ' ARG . 2.7 m-20 -90.66 -5.23 56.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.091 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 25' ' ' ASP . 75.2 p -129.66 -43.77 1.24 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.04 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.5 OUTLIER -78.69 149.21 32.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.957 0.408 . . . . 0.0 111.093 -179.483 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.542 ' SG ' ' CG ' ' B' ' 168' ' ' HIS . 21.5 t -122.72 30.32 6.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.255 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' ILE . 16.5 m-20 -93.47 93.52 8.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.445 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.68 ' HA ' HD12 ' A' ' 36' ' ' LEU . 2.2 mt -38.46 -41.04 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.953 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -57.48 -59.0 5.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.374 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.9 mt -58.43 -38.52 77.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.146 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.68 HD12 ' HA ' ' A' ' 33' ' ' ILE . 65.6 mt -58.91 -43.98 91.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.104 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.17 -48.65 77.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.189 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.416 ' O ' ' HG2' ' A' ' 41' ' ' GLU . . . -65.75 -41.2 92.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.251 179.725 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.695 ' SG ' HD11 ' A' ' 27' ' ' ILE . 46.5 t -64.02 -45.11 90.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.057 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.8 mtp85 -64.77 -42.72 94.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.244 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 42' ' ' GLU . 2.2 pt-20 -62.97 -45.1 94.04 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.918 -178.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 41' ' ' GLU . 2.8 pt-20 -67.63 -36.3 80.52 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.085 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -60.99 -44.99 96.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.285 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -66.38 -51.54 56.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.269 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -46.91 -55.4 8.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.243 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 mtp85 -46.12 -41.36 12.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.503 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.96 -36.14 69.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.459 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -71.8 -73.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.544 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.402 ' H ' HG22 ' A' ' 49' ' ' VAL . 18.8 m -96.09 176.43 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.511 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -85.32 32.16 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.568 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.529 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.517 ' N ' ' O ' ' B' ' 117' ' ' VAL . 27.7 ttp . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -68.97 130.42 42.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.553 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 5.0 pt -131.55 142.97 41.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.557 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -93.01 127.72 38.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.576 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 82.2 t -114.22 106.96 21.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.363 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -79.49 120.79 24.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.387 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 107' ' ' THR . . . . . 0.45 ' HB ' HD22 ' B' ' 108' ' ' LEU . 69.1 p -88.32 -162.33 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.606 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 1.074 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.0 OUTLIER -77.68 -59.48 2.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.178 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 50.8 p -57.7 -2.99 0.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.56 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 110' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' B' ' 108' ' ' LEU . . . 91.73 7.47 64.66 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -70.48 115.21 9.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 0.0 110.456 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.9 m -92.12 110.6 21.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.615 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.418 HG21 HD13 ' B' ' 113' ' ' ILE . 6.7 mt -96.83 148.74 5.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.635 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 17.4 m -107.59 98.31 7.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.471 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.594 HD22 ' N ' ' B' ' 115' ' ' LEU . 3.7 mm? -92.77 129.82 38.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.854 0.359 . . . . 0.0 110.777 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -90.21 116.72 28.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.893 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 117' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' B' ' 101' ' ' MET . 12.6 m -146.81 -161.68 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.053 0.454 . . . . 0.0 111.113 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.529 ' N ' ' OD2' ' B' ' 121' ' ' ASP . 44.5 mt-10 -150.13 152.42 33.68 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.718 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.22 -43.51 20.98 Favored 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.721 2.281 . . . . 0.0 112.853 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.49 17.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.53 -179.073 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 121' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' B' ' 118' ' ' GLU . 5.1 m-20 -92.43 138.3 31.63 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.349 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 6.5 p -81.97 138.51 34.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.965 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 22.0 mm -47.86 -52.47 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.198 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -46.68 -42.9 17.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.263 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 125' ' ' ASN . . . . . 0.49 ' OD1' ' NZ ' ' B' ' 129' ' ' LYS . 37.1 t-20 -61.13 -39.84 91.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.06 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 21.7 t -62.6 -48.46 88.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.152 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -53.67 -38.24 63.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.287 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.96 -40.15 94.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.37 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.49 ' NZ ' ' OD1' ' B' ' 125' ' ' ASN . 60.7 mttp -61.39 -44.19 97.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.303 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 9.2 mt -62.54 -51.82 67.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.297 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 131' ' ' GLN . . . . . 0.584 ' NE2' ' O ' ' B' ' 131' ' ' GLN . 1.2 tm0? -51.19 -32.67 24.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.43 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -74.35 -26.51 60.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.424 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt -81.08 -63.95 1.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.415 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -85.57 -109.23 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.634 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -169.41 16.93 0.06 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 68.1 mt -83.86 114.72 55.83 Favored Pre-proline 0 CA--C 1.532 0.279 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -64.35 147.77 90.84 Favored 'Trans proline' 0 C--N 1.315 -1.193 0 C-N-CA 121.512 1.474 . . . . 0.0 111.525 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.488 ' O ' ' N ' ' B' ' 140' ' ' GLN . 2.6 Cg_endo -48.1 -62.59 0.41 Allowed 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 122.344 2.029 . . . . 0.0 111.85 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -39.98 -24.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.811 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' B' ' 138' ' ' PRO . 12.2 mm100 -105.83 43.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.551 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 141' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' B' ' 138' ' ' PRO . 42.8 mt-30 -134.34 155.14 50.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.618 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 142' ' ' ARG . . . . . 0.873 HH12 ' ND2' ' A' ' 28' ' ' ASN . 11.4 ttm180 -170.39 102.06 0.27 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.058 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.3 mt -84.16 133.36 34.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.006 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 144' ' ' ILE . . . . . 0.506 HG22 ' SG ' ' A' ' 31' ' ' CYS . 1.7 mt -127.52 142.17 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.069 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 145' ' ' PHE . . . . . 0.431 ' O ' ' HB3' ' B' ' 146' ' ' ALA . 68.1 t80 -146.72 104.24 3.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.762 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 146' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' B' ' 145' ' ' PHE . . . 65.74 69.88 0.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.842 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 41.31 46.78 4.43 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -150.8 120.73 7.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.34 . . . . 0.0 110.568 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -83.33 126.45 32.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.327 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 12.9 mt -81.04 126.59 31.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.727 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -68.95 161.97 27.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.544 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.33 -33.3 23.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.971 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -89.98 41.87 2.97 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -139.64 176.35 8.8 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 43.8 p -116.72 163.66 15.8 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.723 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 156' ' ' LEU . . . . . 0.446 ' CD1' HG21 ' B' ' 117' ' ' VAL . 64.5 mt -60.6 -37.5 81.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.533 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 157' ' ' SER . . . . . 0.482 ' C ' ' H ' ' B' ' 159' ' ' TYR . 10.4 t -61.51 -32.4 72.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.736 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -71.71 14.95 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.715 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 159' ' ' TYR . . . . . 0.482 ' H ' ' C ' ' B' ' 157' ' ' SER . 55.5 m-85 -140.64 6.62 2.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.53 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 59.75 28.73 18.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.631 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 97.0 mt -80.95 98.95 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.473 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -79.77 -157.56 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.618 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 31.9 ptt-85 -83.87 158.29 21.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.704 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 56.65 31.92 20.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.767 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 46.9 m -84.91 136.49 33.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.66 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 10.6 m -90.93 103.41 16.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.498 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 10.2 mt -95.92 121.2 37.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.639 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 168' ' ' HIS . . . . . 0.619 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.2 OUTLIER -77.81 97.01 5.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.27 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 43.6 tp -81.35 132.66 35.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.734 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 170' ' ' VAL . . . . . 0.408 ' CG2' HD13 ' A' ' 36' ' ' LEU . 3.0 t -130.51 161.59 40.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.24 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.691 ' N ' HD12 ' B' ' 171' ' ' LEU . 6.9 mp -97.85 110.17 22.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.498 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -65.68 103.19 0.83 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.497 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 13.9 mt -77.66 167.78 21.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.622 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -80.31 162.73 24.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.473 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . -170.92 -163.17 24.51 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.985 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 201' ' ' MET . . . . . 0.525 ' N ' ' O ' ' C' ' 217' ' ' VAL . 31.4 ttp . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -89.01 110.72 21.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.779 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 18.7 pt -107.95 147.09 13.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.339 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -98.44 135.49 39.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.798 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 59.0 t -124.0 110.52 25.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.057 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 206' ' ' LYS . . . . . 0.511 ' NZ ' ' OG1' ' C' ' 212' ' ' THR . 39.3 mttm -95.55 137.2 34.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.971 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 69.6 p -89.71 -160.7 0.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.146 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 208' ' ' LEU . . . . . 0.884 HD12 ' N ' ' C' ' 208' ' ' LEU . 1.6 mp -100.98 23.2 11.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 110.571 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 2.2 p -136.57 0.22 2.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.41 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 92.51 29.57 10.85 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -103.2 110.77 22.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.807 0.337 . . . . 0.0 110.567 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 212' ' ' THR . . . . . 0.511 ' OG1' ' NZ ' ' C' ' 206' ' ' LYS . 10.2 m -93.79 146.98 23.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.627 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 2.6 mt -138.16 127.25 32.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.906 0.384 . . . . 0.0 110.663 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 8.6 m -92.35 115.7 28.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.309 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 17.3 mt -117.16 123.28 46.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.89 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -81.5 121.43 26.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.078 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 217' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' C' ' 201' ' ' MET . 29.2 m -149.0 -165.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.99 0.424 . . . . 0.0 111.008 -179.54 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 218' ' ' GLU . . . . . 0.549 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 2.8 mt-10 -142.39 148.52 47.75 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.751 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.92 -25.24 2.6 Favored 'Trans proline' 0 C--N 1.31 -1.499 0 C-N-CA 122.412 2.074 . . . . 0.0 112.364 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.9 p -80.49 -28.97 37.39 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.954 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 221' ' ' ASP . . . . . 0.549 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 0.9 OUTLIER -44.85 137.77 3.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.39 . . . . 0.0 110.664 -179.714 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 222' ' ' THR . . . . . 0.403 ' O ' ' N ' ' C' ' 225' ' ' ASN . 19.9 p -87.9 138.14 31.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.509 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 18.6 mm -42.15 -52.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.59 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -51.42 -36.25 42.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.568 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 225' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' C' ' 222' ' ' THR . 30.1 t-20 -65.3 -41.22 94.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.863 0.363 . . . . 0.0 110.067 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 41.3 t -62.87 -45.15 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.979 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -55.62 -41.99 74.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.016 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.93 91.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.236 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -55.95 -46.59 78.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.247 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 41.9 mt -59.59 -40.02 80.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.293 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -59.06 -35.1 72.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.157 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.55 -24.96 61.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.481 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 19.7 mmtm -82.09 -62.26 1.68 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.593 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -88.31 -106.3 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.565 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -173.03 11.78 0.04 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.831 -0.907 . . . . 0.0 110.831 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 236' ' ' ILE . . . . . 0.486 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 17.6 mt -84.39 115.63 61.3 Favored Pre-proline 0 C--N 1.329 -0.295 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.01 151.2 79.97 Favored 'Trans proline' 0 C--N 1.314 -1.243 0 C-N-CA 121.504 1.469 . . . . 0.0 111.679 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 238' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.8 Cg_endo -48.49 -62.33 0.45 Allowed 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.404 2.069 . . . . 0.0 111.919 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -43.51 -20.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.633 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 240' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' C' ' 238' ' ' PRO . 81.6 mt-30 -106.54 33.14 4.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.522 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 241' ' ' GLN . . . . . 0.508 ' N ' ' O ' ' C' ' 238' ' ' PRO . 70.6 mt-30 -134.36 145.29 48.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.675 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 242' ' ' ARG . . . . . 0.765 HH21 ' HE ' ' C' ' 272' ' ' ARG . 40.2 ttm-85 -155.81 117.63 4.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.131 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 12.5 mt -96.54 136.33 37.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.153 0.502 . . . . 0.0 111.275 -179.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 2.1 mt -129.84 120.86 50.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.898 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 245' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -106.85 75.25 1.04 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.886 0.374 . . . . 0.0 111.055 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 54.05 88.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 247' ' ' GLY . . . . . 0.702 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 56.33 40.97 86.65 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -150.32 91.8 1.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.773 0.32 . . . . 0.0 110.544 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 249' ' ' GLN . . . . . 0.471 ' CD ' ' NH1' ' C' ' 242' ' ' ARG . 8.2 tt0 -75.01 112.24 11.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.98 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 9.7 mt -73.32 130.36 40.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.93 0.395 . . . . 0.0 110.834 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -80.44 158.75 25.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.421 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.44 -0.96 43.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.872 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -123.04 36.71 3.0 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.61 -177.82 4.79 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 255' ' ' THR . . . . . 0.462 ' C ' ' H ' ' C' ' 257' ' ' SER . 33.4 p -122.06 158.83 28.36 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.886 0.374 . . . . 0.0 110.601 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 256' ' ' LEU . . . . . 0.412 ' CD1' HG21 ' C' ' 217' ' ' VAL . 95.1 mt -60.67 -1.09 0.34 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.644 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 257' ' ' SER . . . . . 0.482 ' C ' ' H ' ' C' ' 259' ' ' TYR . 93.8 p -96.47 -30.3 13.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.686 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.81 12.97 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.647 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 259' ' ' TYR . . . . . 0.482 ' H ' ' C ' ' C' ' 257' ' ' SER . 74.7 m-85 -140.82 -0.61 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.552 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 260' ' ' ASN . . . . . 0.578 ' O ' ' NE2' ' C' ' 262' ' ' GLN . 9.0 t-20 60.82 54.18 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.633 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 96.7 mt -98.22 105.34 17.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.417 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 262' ' ' GLN . . . . . 0.578 ' NE2' ' O ' ' C' ' 260' ' ' ASN . 24.9 mp0 -84.09 -168.04 1.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.818 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -73.29 160.28 32.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.794 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 51.7 31.7 8.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.76 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 38.2 m -86.0 131.75 34.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.583 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 12.2 m -85.33 129.36 34.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.55 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 10.4 mt -123.84 132.56 53.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.582 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 268' ' ' HIS . . . . . 0.666 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.1 OUTLIER -85.17 111.7 20.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.097 179.831 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 269' ' ' LEU . . . . . 0.595 ' O ' HD11 ' C' ' 208' ' ' LEU . 45.5 tp -88.33 133.64 34.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.63 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 270' ' ' VAL . . . . . 0.408 HG11 HG23 ' D' ' 327' ' ' ILE . 2.0 t -133.26 140.33 47.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.376 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 271' ' ' LEU . . . . . 0.741 ' N ' HD12 ' C' ' 271' ' ' LEU . 6.7 mp -82.64 100.57 10.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.522 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 272' ' ' ARG . . . . . 0.765 ' HE ' HH21 ' C' ' 242' ' ' ARG . 17.2 ttt-85 -55.56 110.16 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.6 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 273' ' ' LEU . . . . . . . . . . . . . 43.3 mt -74.06 94.08 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.576 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 274' ' ' ARG . . . . . 0.491 HH11 ' NH1' ' C' ' 272' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.383 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.753 0.311 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.92 92.95 5.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.493 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 315' ' ' LEU . . . . . 0.426 HD13 ' OE1' ' D' ' 342' ' ' GLU . 10.6 mt -91.45 43.29 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.492 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 72.3 m -83.61 18.45 1.9 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.769 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -172.68 83.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 110.69 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -132.82 170.98 14.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.309 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -119.64 166.19 13.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.724 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 320' ' ' TYR . . . . . 0.477 ' C ' ' CD1' ' D' ' 320' ' ' TYR . 10.5 t80 -60.5 -48.82 80.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.558 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -59.66 -48.7 80.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.798 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -55.19 -57.56 11.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 323' ' ' LEU . . . . . 0.543 HD21 ' CD ' ' D' ' 342' ' ' GLU . 15.4 mt -56.81 -55.67 31.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.743 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 324' ' ' ARG . . . . . 0.594 ' NH2' ' NH2' ' C' ' 272' ' ' ARG . 7.4 tpt85 -52.99 -47.76 67.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.552 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 325' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' D' ' 329' ' ' THR . 1.0 OUTLIER -63.36 -47.42 82.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.327 179.902 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 326' ' ' THR . . . . . 0.507 ' O ' ' N ' ' D' ' 330' ' ' SER . 21.7 m -53.49 -45.3 69.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.596 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 327' ' ' ILE . . . . . 0.408 HG23 HG11 ' C' ' 270' ' ' VAL . 95.8 mt -75.65 -25.43 17.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.733 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 328' ' ' ASN . . . . . 0.634 HD22 ' NH2' ' C' ' 272' ' ' ARG . 2.5 m120 -95.16 -1.5 51.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.064 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.464 ' N ' ' O ' ' D' ' 325' ' ' ASP . 62.6 p -135.15 -43.05 0.72 Allowed 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 121.002 -0.279 . . . . 0.0 111.245 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 330' ' ' SER . . . . . 0.507 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.4 OUTLIER -75.4 163.44 27.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.017 0.437 . . . . 0.0 111.218 -179.289 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 331' ' ' CYS . . . . . 0.702 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 27.6 p -140.86 88.49 2.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.468 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -160.14 98.88 1.33 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.342 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 333' ' ' ILE . . . . . 0.412 HG21 HD13 ' D' ' 333' ' ' ILE . 2.1 mt -38.82 -43.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.884 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -54.79 -58.93 5.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.346 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 335' ' ' LEU . . . . . 0.492 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 7.3 mt -60.43 -51.09 70.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.115 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 45.1 mt -50.42 -45.79 55.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.52 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.37 -48.72 80.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.303 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 338' ' ' ALA . . . . . 0.419 ' O ' ' HG2' ' D' ' 341' ' ' GLU . . . -68.03 -32.36 72.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.475 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 339' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 76.7 m -65.31 -45.97 82.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.115 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 340' ' ' ARG . . . . . 0.426 ' HE ' ' HB2' ' C' ' 271' ' ' LEU . 14.3 mtp-105 -67.81 -43.03 80.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.222 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 341' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' D' ' 342' ' ' GLU . 4.8 pt-20 -60.68 -45.85 92.61 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.798 -179.081 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 342' ' ' GLU . . . . . 0.543 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.1 pt-20 -68.39 -39.05 81.84 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.232 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.82 -53.04 62.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.014 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -59.66 -52.34 65.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.343 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.67 -40.77 20.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.164 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.517 179.888 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 N--CA 1.461 0.081 0 CA-C-O 120.768 0.318 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -81.05 92.97 6.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.599 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.1 mt -89.24 42.58 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.459 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.8 p -79.74 17.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -171.82 82.31 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.908 0.385 . . . . 0.0 110.707 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -131.81 167.15 20.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.295 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.53 166.91 12.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.684 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.507 ' OH ' ' N ' ' B' ' 176' ' ' GLY . 8.9 t80 -62.31 -48.06 81.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.561 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.74 -36.84 79.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.728 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -68.23 -54.54 16.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.802 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.573 HD21 ' CD ' ' A' ' 42' ' ' GLU . 15.5 mt -57.96 -57.61 12.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.606 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 tpt85 -53.15 -53.52 49.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.371 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' A' ' 29' ' ' THR . 6.1 t70 -53.16 -51.25 62.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.299 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.571 ' O ' ' N ' ' A' ' 30' ' ' SER . 24.3 m -51.27 -53.18 38.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.612 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 88.3 mt -66.19 -20.01 26.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.64 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.444 ' ND2' HH12 ' B' ' 142' ' ' ARG . 2.3 m-20 -103.59 -1.68 27.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.414 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.537 ' N ' ' O ' ' A' ' 25' ' ' ASP . 41.7 p -139.82 -1.16 1.64 Allowed 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.861 -0.335 . . . . 0.0 111.133 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 26' ' ' THR . 3.1 t -115.93 168.94 9.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.009 0.433 . . . . 0.0 110.901 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.7 p -147.68 85.81 1.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.44 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -160.34 104.71 1.46 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.69 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.723 ' H ' HD12 ' A' ' 33' ' ' ILE . 1.1 mp -41.22 -42.56 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.56 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -56.45 -56.68 18.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.297 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.491 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 11.5 mt -63.25 -50.15 71.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.173 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.8 mt -52.05 -45.46 64.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.447 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.24 -49.31 70.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.815 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.7 -44.04 97.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.614 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 80.4 m -58.18 -53.55 57.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.468 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.6 mtp-105 -57.07 -41.37 78.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.417 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -55.91 -59.68 4.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.573 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.8 pt-20 -63.08 -36.08 82.41 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.806 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.435 ' CD1' HD13 ' B' ' 173' ' ' LEU . 4.5 t80 -58.3 -41.18 83.88 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.38 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -72.44 -51.59 19.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.385 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -45.9 -48.83 16.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.335 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.419 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 72.3 mtt-85 -52.73 -33.73 49.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.406 179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.5 mt -81.45 -50.23 9.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.509 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 49' ' ' VAL . 69.8 tttt -53.7 -67.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.573 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.425 ' O ' ' O ' ' A' ' 48' ' ' LYS . 5.0 t 53.77 106.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.512 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.502 ' CD2' ' O ' ' A' ' 50' ' ' TYR . 11.6 p90 -78.43 90.5 4.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.516 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 16.3 p80 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.512 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.564 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 102' ' ' GLN . . . . . 0.423 ' CD ' ' CG2' ' B' ' 114' ' ' THR . 24.8 tt0 -95.93 140.67 30.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.121 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 3.8 pt -135.01 156.4 39.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.904 0.383 . . . . 0.0 110.812 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -111.11 127.32 55.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.395 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 86.9 t -113.59 110.44 32.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.397 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -95.56 133.74 39.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.768 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 21.7 p -92.59 -163.49 1.05 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.307 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.935 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.5 OUTLIER -84.25 -23.43 30.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.343 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 5.6 p -83.93 2.35 39.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.468 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.27 12.56 80.49 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -82.15 122.86 28.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.751 0.31 . . . . 0.0 110.543 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.5 m -99.75 134.48 42.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.626 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 4.2 mt -122.97 129.58 75.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 114' ' ' THR . . . . . 0.423 ' CG2' ' CD ' ' B' ' 102' ' ' GLN . 8.4 m -88.52 101.44 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.348 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.473 HD22 ' N ' ' B' ' 115' ' ' LEU . 4.2 mm? -98.97 125.41 44.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.987 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -87.91 117.89 27.07 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 117' ' ' VAL . . . . . 0.564 ' O ' ' N ' ' B' ' 101' ' ' MET . 6.0 m -141.96 -158.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.334 0.588 . . . . 0.0 111.563 -178.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.524 ' N ' ' OD2' ' B' ' 121' ' ' ASP . 5.6 mt-10 -146.99 170.43 7.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.394 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -75.24 -16.58 19.61 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 122.385 2.057 . . . . 0.0 112.354 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.2 p -100.86 6.89 43.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.748 0.309 . . . . 0.0 110.739 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 121' ' ' ASP . . . . . 0.524 ' OD2' ' N ' ' B' ' 118' ' ' GLU . 45.1 m-20 -78.53 141.78 37.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.427 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 82.3 p -85.66 143.36 28.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 25.2 mm -51.74 -46.38 38.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.204 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 124' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' B' ' 125' ' ' ASN . 11.0 pt-20 -53.68 -40.32 65.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.294 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 125' ' ' ASN . . . . . 0.499 ' OD1' ' NZ ' ' B' ' 129' ' ' LYS . 41.8 t-20 -63.17 -37.99 89.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.175 179.682 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 46.0 t -64.28 -49.91 78.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.158 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -53.04 -38.34 62.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.161 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.55 -41.32 96.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.371 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.499 ' NZ ' ' OD1' ' B' ' 125' ' ' ASN . 36.3 mttp -60.37 -43.35 96.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.346 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 9.6 mt -63.67 -42.87 97.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.285 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 131' ' ' GLN . . . . . 0.578 ' NE2' ' O ' ' B' ' 131' ' ' GLN . 1.0 OUTLIER -60.64 -24.91 65.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.425 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -84.95 -19.74 31.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.689 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -89.83 -56.75 3.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.826 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -90.48 -106.21 0.09 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.757 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -172.97 22.67 0.07 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.526 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 15.8 mt -95.53 111.14 54.43 Favored Pre-proline 0 C--N 1.329 -0.292 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -63.2 153.35 74.67 Favored 'Trans proline' 0 C--N 1.314 -1.239 0 C-N-CA 121.518 1.479 . . . . 0.0 111.651 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -46.9 -65.0 0.2 Allowed 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.502 2.134 . . . . 0.0 111.859 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.33 -19.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.666 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' B' ' 138' ' ' PRO . 32.0 mm-40 -112.22 36.15 3.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.523 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 141' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 51.9 mt-30 -134.43 160.55 37.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.551 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 142' ' ' ARG . . . . . 0.444 HH12 ' ND2' ' A' ' 28' ' ' ASN . 23.4 ttm180 -170.21 139.72 1.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.042 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 31.3 mt -120.29 137.85 54.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.989 0.423 . . . . 0.0 110.998 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 144' ' ' ILE . . . . . 0.413 ' O ' ' CG ' ' B' ' 168' ' ' HIS . 1.7 mt -129.34 123.29 57.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.055 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -141.57 146.47 36.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.428 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 62.21 21.53 12.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.618 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 73.72 30.01 62.47 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 65.5 mttt -146.44 143.47 29.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.796 0.331 . . . . 0.0 110.636 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -78.05 134.23 37.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.382 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 12.8 mt -85.33 136.68 33.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.751 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -80.53 160.31 25.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.469 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.75 -29.1 36.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.839 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -92.86 40.26 2.86 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 33.2 mmt-85 -139.64 178.72 7.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.751 0.31 . . . . 0.0 110.44 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 76.5 p -119.73 179.03 4.36 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.583 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 92.0 mt -80.46 -13.22 59.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.773 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 4.2 p -87.89 -14.38 39.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.586 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.33 -9.64 58.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.663 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -118.84 16.0 13.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.598 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 4.4 m120 54.92 18.11 2.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.973 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 78.1 mt -65.76 91.38 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.287 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -74.38 -157.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.595 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 163' ' ' ARG . . . . . 0.401 ' HG2' ' H ' ' B' ' 163' ' ' ARG . 11.0 ptp180 -84.37 156.67 21.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.726 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 59.89 32.83 21.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.679 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 38.2 m -85.12 131.88 34.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.585 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 9.0 m -93.36 97.0 10.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.6 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 167' ' ' LEU . . . . . 0.428 ' H ' HD12 ' B' ' 167' ' ' LEU . 3.4 mp -88.6 154.75 20.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.621 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 168' ' ' HIS . . . . . 0.655 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -104.31 113.96 27.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.075 179.522 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 169' ' ' LEU . . . . . 0.413 HD12 ' O ' ' B' ' 142' ' ' ARG . 28.9 tp -90.85 124.2 34.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.565 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.0 t -127.24 138.4 54.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.165 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.624 ' N ' HD12 ' B' ' 171' ' ' LEU . 8.4 mp -77.9 103.04 7.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.702 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 172' ' ' ARG . . . . . 0.425 ' O ' ' OE1' ' B' ' 140' ' ' GLN . 57.7 ttt180 -60.65 94.44 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.528 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 173' ' ' LEU . . . . . 0.435 HD13 ' CD1' ' A' ' 43' ' ' PHE . 28.7 mt -61.91 130.38 45.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.649 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 71.2 mtt-85 -78.56 148.14 33.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.571 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 153.48 -151.95 23.64 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 176' ' ' GLY . . . . . 0.507 ' N ' ' OH ' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.525 0.696 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 201' ' ' MET . . . . . 0.531 ' N ' ' O ' ' C' ' 217' ' ' VAL . 32.2 ttp . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 202' ' ' GLN . . . . . 0.522 ' OE1' ' N ' ' C' ' 202' ' ' GLN . 4.4 mp0 -76.08 144.7 40.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.435 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 14.9 pt -147.68 141.68 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.344 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -93.56 140.31 29.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.839 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 19.6 t -128.73 110.69 21.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.084 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 206' ' ' LYS . . . . . 0.486 ' CB ' ' NZ ' ' C' ' 206' ' ' LYS . 8.0 mtmp? -92.94 130.73 38.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.657 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 58.0 p -89.29 -158.46 0.51 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.435 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 208' ' ' LEU . . . . . 0.922 HD22 ' H ' ' C' ' 208' ' ' LEU . 0.6 OUTLIER -82.28 -33.63 29.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.3 179.882 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 9.4 p -82.3 -2.85 54.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.589 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 91.02 19.84 41.45 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -79.89 116.81 20.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.329 . . . . 0.0 110.553 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 6.4 m -94.43 137.69 33.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.601 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -130.03 128.48 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.54 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 55.0 m -94.18 98.45 10.96 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.343 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 215' ' ' LEU . . . . . 0.465 ' N ' HD12 ' C' ' 215' ' ' LEU . 11.0 mp -100.08 136.39 40.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.906 0.384 . . . . 0.0 110.819 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 216' ' ' GLU . . . . . 0.451 ' CD ' HE22 ' C' ' 202' ' ' GLN . 38.0 tt0 -91.78 121.25 33.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.103 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 217' ' ' VAL . . . . . 0.531 ' O ' ' N ' ' C' ' 201' ' ' MET . 34.0 m -145.01 -162.82 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.926 0.393 . . . . 0.0 110.904 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 218' ' ' GLU . . . . . 0.521 ' N ' ' OD2' ' C' ' 221' ' ' ASP . 5.5 mt-10 -140.06 171.16 8.26 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.725 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -73.44 -32.27 8.15 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 122.303 2.002 . . . . 0.0 112.031 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.64 1.13 35.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.446 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 221' ' ' ASP . . . . . 0.521 ' OD2' ' N ' ' C' ' 218' ' ' GLU . 30.5 m-20 -74.57 138.8 43.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.56 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 11.9 p -87.02 139.7 30.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.838 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 24.8 mm -46.8 -37.92 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.296 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -58.49 -45.28 89.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.357 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 225' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -61.07 -38.84 87.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.073 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 39.7 t -62.28 -44.79 99.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.098 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -57.63 -38.94 75.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.224 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.37 99.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.208 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -60.42 -47.44 86.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.238 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 60.8 mt -61.73 -29.58 46.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.336 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -67.64 -39.3 84.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.058 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -69.49 -25.42 64.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.358 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm -81.68 -60.41 2.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.553 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -88.48 -103.04 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.6 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 178.03 13.63 0.02 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 236' ' ' ILE . . . . . 0.513 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 48.8 mt -83.23 123.2 77.44 Favored Pre-proline 0 C--N 1.33 -0.266 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -58.14 146.65 87.28 Favored 'Trans proline' 0 C--N 1.313 -1.294 0 C-N-CA 121.536 1.49 . . . . 0.0 111.632 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 238' ' ' PRO . . . . . 0.499 ' C ' ' H ' ' C' ' 240' ' ' GLN . 2.7 Cg_endo -51.83 -45.33 39.11 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.3 2.0 . . . . 0.0 111.962 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 239' ' ' ASP . . . . . 0.501 ' N ' ' OD1' ' C' ' 239' ' ' ASP . 0.7 OUTLIER -69.12 13.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.754 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 240' ' ' GLN . . . . . 0.499 ' H ' ' C ' ' C' ' 238' ' ' PRO . 62.2 mt-30 -141.34 33.08 1.69 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.629 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 241' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 65.0 mt-30 -134.6 89.94 2.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.868 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 242' ' ' ARG . . . . . 0.513 ' NH2' ' OE1' ' C' ' 249' ' ' GLN . 33.5 ttm-85 -90.13 129.97 36.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.133 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 10.9 mt -109.66 126.86 54.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.048 0.451 . . . . 0.0 110.985 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.5 mt -122.51 127.0 74.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.085 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 245' ' ' PHE . . . . . 0.528 ' CE1' ' OD2' ' A' ' 25' ' ' ASP . 51.9 t80 -116.15 75.21 0.94 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.902 0.382 . . . . 0.0 111.095 -179.559 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 54.25 88.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.06 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 247' ' ' GLY . . . . . . . . . . . . . . . 55.65 39.37 75.38 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -150.82 90.76 1.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.491 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 249' ' ' GLN . . . . . 0.513 ' OE1' ' NH2' ' C' ' 242' ' ' ARG . 0.9 OUTLIER -74.47 96.16 2.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.965 179.667 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 250' ' ' LEU . . . . . 0.413 ' O ' ' OE1' ' C' ' 249' ' ' GLN . 9.4 mt -56.78 135.47 55.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.777 -179.543 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -91.34 161.27 15.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.334 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -24.06 51.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.756 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -100.09 41.21 2.22 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -139.63 176.99 8.26 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 42.3 p -119.62 159.83 23.65 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.872 0.368 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.55 -25.16 65.95 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.694 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 257' ' ' SER . . . . . 0.493 ' C ' ' H ' ' C' ' 259' ' ' TYR . 82.0 p -74.49 -30.6 61.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.768 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -71.5 15.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.693 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 259' ' ' TYR . . . . . 0.493 ' H ' ' C ' ' C' ' 257' ' ' SER . 69.4 m-85 -140.63 6.36 2.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.549 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 1.9 m120 60.53 26.84 16.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.645 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 84.9 mt -78.31 100.23 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.516 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -83.08 -157.28 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.65 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -82.53 161.86 22.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.671 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 51.29 29.06 4.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.583 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 34.5 m -88.97 135.66 33.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.61 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 4.3 m -80.43 150.71 29.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.496 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 7.5 mt -140.94 122.97 15.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.531 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 268' ' ' HIS . . . . . 0.637 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -81.6 104.3 11.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.174 179.803 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 47.6 tp -87.66 133.63 33.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.959 0.409 . . . . 0.0 110.879 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 2.5 t -130.62 154.95 41.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.306 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 271' ' ' LEU . . . . . . . . . . . . . 6.2 mt -91.28 110.26 21.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.735 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -84.6 115.67 22.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.345 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 273' ' ' LEU . . . . . 0.751 HD11 ' NH1' ' D' ' 340' ' ' ARG . 0.3 OUTLIER -99.79 -175.76 3.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.45 -179.825 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.453 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 313' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' D' ' 313' ' ' TYR . 16.9 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.766 0.317 . . . . 0.0 110.491 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -78.79 92.77 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.566 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 315' ' ' LEU . . . . . 0.439 HD13 ' OE1' ' D' ' 342' ' ' GLU . 13.5 mt -98.7 45.93 1.0 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.384 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 13.0 t -73.26 -20.54 60.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -156.55 101.74 2.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.84 0.352 . . . . 0.0 110.703 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -129.53 163.82 25.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.21 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -100.32 160.62 14.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.789 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 320' ' ' TYR . . . . . 0.473 ' C ' ' CD1' ' D' ' 320' ' ' TYR . 16.6 t80 -60.25 -50.03 75.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.588 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -63.62 -40.9 98.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -58.52 -50.75 72.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.67 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 323' ' ' LEU . . . . . 0.55 HD21 ' CD ' ' D' ' 342' ' ' GLU . 14.7 mt -60.87 -55.63 30.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.39 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 324' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -57.14 -53.35 59.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.587 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 325' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' D' ' 329' ' ' THR . 28.7 t70 -52.51 -51.49 59.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.397 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 326' ' ' THR . . . . . 0.488 ' O ' ' N ' ' D' ' 330' ' ' SER . 56.5 m -54.06 -42.25 69.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.392 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 327' ' ' ILE . . . . . 0.571 ' CD1' ' NH2' ' D' ' 340' ' ' ARG . 86.4 mt -75.06 -23.06 17.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.502 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 328' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -100.34 0.49 40.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.665 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.485 ' N ' ' O ' ' D' ' 325' ' ' ASP . 73.2 p -132.76 -19.12 2.35 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.167 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 330' ' ' SER . . . . . 0.488 ' N ' ' O ' ' D' ' 326' ' ' THR . 1.5 t -106.04 172.79 6.61 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.124 0.488 . . . . 0.0 111.191 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 331' ' ' CYS . . . . . . . . . . . . . 4.9 m -144.7 28.84 1.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.518 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 332' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' D' ' 333' ' ' ILE . 11.7 m-20 -92.76 95.29 9.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.398 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 333' ' ' ILE . . . . . 0.469 ' CD1' ' NZ ' ' C' ' 206' ' ' LYS . 2.2 mt -38.52 -42.12 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.701 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -55.21 -57.11 13.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.122 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.19 -50.74 71.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.08 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 57.3 mt -50.51 -46.14 57.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.457 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -66.01 -49.45 67.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.439 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -58.53 -42.79 88.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.161 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 339' ' ' CYS . . . . . . . . . . . . . 90.9 m -61.1 -53.88 51.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.112 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 340' ' ' ARG . . . . . 0.751 ' NH1' HD11 ' C' ' 273' ' ' LEU . 0.0 OUTLIER -50.98 -41.39 59.43 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.402 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -59.65 -51.59 69.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.486 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 342' ' ' GLU . . . . . 0.55 ' CD ' HD21 ' D' ' 323' ' ' LEU . 2.8 pt-20 -71.38 -33.5 69.58 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.709 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 343' ' ' PHE . . . . . 0.538 ' CD1' HD12 ' C' ' 273' ' ' LEU . 1.6 t80 -67.2 -43.7 81.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.572 -179.673 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -69.63 -50.53 43.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.349 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 50.8 mtp85 -53.77 -51.3 63.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.411 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 71.1 mtt-85 . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.593 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.768 0.318 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -77.52 93.04 4.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.54 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.7 mt -90.39 42.59 1.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.614 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.0 t -87.55 -27.83 22.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.593 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -96.93 29.09 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.72 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -105.66 169.52 8.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.564 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -118.05 168.69 10.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.672 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -60.79 -47.2 87.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.539 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.14 -48.93 79.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.816 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -55.47 -57.89 10.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.63 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.533 HD13 ' CD ' ' A' ' 42' ' ' GLU . 30.1 mt -52.49 -59.53 4.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.607 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.532 HH12 ' N ' ' B' ' 173' ' ' LEU . 15.3 tpt180 -53.04 -42.87 66.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.569 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 29' ' ' THR . 11.0 m-20 -62.62 -48.18 80.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.423 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.513 ' O ' ' N ' ' A' ' 30' ' ' SER . 87.2 m -54.08 -46.66 72.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.6 mt -71.46 -30.42 39.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.715 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.409 ' OD1' ' NH1' ' B' ' 142' ' ' ARG . 2.8 m-20 -83.5 -23.75 32.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.294 -179.402 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 25' ' ' ASP . 32.6 p -107.64 -43.6 4.46 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.76 0.314 . . . . 0.0 111.052 -179.641 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.8 OUTLIER -79.3 172.85 13.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.074 0.464 . . . . 0.0 111.166 -179.5 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.434 ' CB ' ' H ' ' B' ' 147' ' ' GLY . 8.2 p -144.35 13.94 1.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.074 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 33' ' ' ILE . 11.4 m-20 -74.08 95.01 2.48 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.536 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.708 ' HA ' HD12 ' A' ' 36' ' ' LEU . 2.4 mt -38.42 -41.44 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.78 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -56.42 -58.75 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.084 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.9 mt -59.04 -42.92 91.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.043 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 33' ' ' ILE . 91.0 mt -50.57 -44.1 56.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.95 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.7 -48.63 68.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.064 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.88 -47.06 83.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.274 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.484 ' O ' ' OE2' ' A' ' 42' ' ' GLU . 90.8 m -62.79 -44.18 96.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.143 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.745 HH12 HD12 ' B' ' 171' ' ' LEU . 0.7 OUTLIER -63.26 -28.18 69.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.396 179.711 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -73.58 -61.42 1.84 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.217 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.533 ' CD ' HD13 ' A' ' 23' ' ' LEU . 2.5 pp20? -51.97 -36.31 49.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.989 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.496 ' N ' ' CD ' ' A' ' 42' ' ' GLU . 0.9 OUTLIER -66.46 -52.86 41.82 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.238 179.645 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -60.35 -44.47 95.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.962 0.41 . . . . 0.0 110.153 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 86.8 mtt-85 -55.3 -56.43 20.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.281 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 71.8 mtt-85 -48.92 -39.0 24.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.563 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -79.86 -20.7 45.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.287 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -80.55 -32.24 36.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.49 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.3 p -103.69 144.43 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.494 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.521 ' CD2' ' O ' ' A' ' 50' ' ' TYR . 45.5 t80 59.78 30.08 19.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.512 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 18.0 t60 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.543 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.529 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -94.7 114.36 26.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.66 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 21.7 pt -102.26 152.24 5.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.622 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -104.38 128.77 52.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.651 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 99.3 t -116.1 114.41 46.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.358 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 106' ' ' LYS . . . . . 0.506 ' NZ ' HG21 ' B' ' 166' ' ' THR . 26.4 mttp -84.95 128.02 34.44 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.567 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 24.2 p -76.77 -175.42 3.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.541 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.662 HD12 ' NE ' ' A' ' 40' ' ' ARG . 3.0 mm? -74.3 -29.94 61.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.508 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 6.9 p -80.61 -42.61 21.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.485 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 139.57 6.7 1.12 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -80.47 119.08 22.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.777 0.322 . . . . 0.0 110.638 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 6.5 m -85.51 146.39 26.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.44 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 1.9 mt -132.35 125.47 53.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.592 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 9.8 m -89.76 112.74 24.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.192 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 15.6 mt -116.48 128.8 55.78 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.988 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -78.87 121.19 24.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.024 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 117' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' B' ' 101' ' ' MET . 12.1 m -146.74 -177.01 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.997 0.427 . . . . 0.0 110.875 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.608 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 75.1 mt-10 -142.86 151.21 55.88 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.915 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.1 -27.8 4.78 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.61 2.207 . . . . 0.0 112.478 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.4 p -88.27 12.22 14.52 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.195 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 121' ' ' ASP . . . . . 0.608 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 8.1 m-20 -86.72 134.32 33.6 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.407 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 122' ' ' THR . . . . . 0.402 ' O ' ' N ' ' B' ' 125' ' ' ASN . 13.1 p -83.9 135.0 34.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.957 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 27.0 mm -43.44 -49.03 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.259 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -51.35 -38.51 53.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.142 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 125' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' B' ' 122' ' ' THR . 10.2 t-20 -63.89 -38.4 90.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.015 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 16.2 t -64.94 -45.54 94.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.045 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -56.54 -36.53 69.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.21 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.35 -46.4 76.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.324 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -56.05 -49.87 72.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.456 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' B' ' 133' ' ' LYS . 55.3 mt -58.48 -53.54 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.349 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 131' ' ' GLN . . . . . 0.581 ' NE2' ' O ' ' B' ' 131' ' ' GLN . 1.8 tm0? -46.97 -31.54 3.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.266 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -75.8 -27.79 58.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.473 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 133' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' B' ' 130' ' ' ILE . 46.7 mmtt -80.57 -59.75 2.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.557 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -86.2 -99.72 0.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.525 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 135' ' ' GLY . . . . . 0.438 ' H ' ' H ' ' B' ' 136' ' ' ILE . . . 178.75 9.46 0.02 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.438 ' H ' ' H ' ' B' ' 135' ' ' GLY . 39.6 mt -79.89 118.82 74.35 Favored Pre-proline 0 CA--C 1.533 0.322 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.49 151.28 76.28 Favored 'Trans proline' 0 N--CA 1.489 1.26 0 C-N-CA 121.566 1.511 . . . . 0.0 111.694 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.525 ' C ' ' H ' ' B' ' 140' ' ' GLN . 2.6 Cg_endo -48.36 -47.24 20.62 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 C-N-CA 122.59 2.194 . . . . 0.0 112.02 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.7 14.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.973 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.525 ' H ' ' C ' ' B' ' 138' ' ' PRO . 31.8 mt-30 -141.41 28.69 1.82 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.578 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 141' ' ' GLN . . . . . 0.467 ' OE1' ' CG2' ' B' ' 130' ' ' ILE . 48.4 mt-30 -134.43 85.78 2.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.728 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 142' ' ' ARG . . . . . 0.409 ' NH1' ' OD1' ' A' ' 28' ' ' ASN . 2.8 ttm180 -89.99 115.57 27.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.087 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 15.2 mt -92.03 130.14 37.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.613 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.5 mt -129.07 143.17 42.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.429 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 145' ' ' PHE . . . . . 0.446 ' O ' ' HB3' ' B' ' 146' ' ' ALA . 85.2 t80 -141.12 92.19 2.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.697 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 146' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' B' ' 145' ' ' PHE . . . 66.8 79.83 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 147' ' ' GLY . . . . . 0.434 ' H ' ' CB ' ' A' ' 31' ' ' CYS . . . 39.13 44.2 2.03 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -149.75 112.26 4.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.367 . . . . 0.0 110.617 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -79.44 128.06 32.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.264 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 11.8 mt -81.5 115.48 20.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.694 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -55.88 158.64 3.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.566 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.43 -17.69 33.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.747 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -107.17 38.81 3.14 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 24.3 mmt-85 -139.56 172.39 12.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.642 0.258 . . . . 0.0 110.335 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 14.9 p -110.58 163.58 13.58 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 76.1 mt -59.55 -41.0 89.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.566 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 157' ' ' SER . . . . . 0.497 ' C ' ' H ' ' B' ' 159' ' ' TYR . 31.4 p -53.57 -32.83 52.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.834 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -71.79 16.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.704 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 159' ' ' TYR . . . . . 0.497 ' H ' ' C ' ' B' ' 157' ' ' SER . 72.4 m-85 -140.66 3.9 1.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.604 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 160' ' ' ASN . . . . . 0.528 ' O ' ' NE2' ' B' ' 162' ' ' GLN . 11.4 m-20 60.68 27.5 17.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.714 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 86.6 mt -79.4 104.93 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.495 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 162' ' ' GLN . . . . . 0.566 ' H ' ' CD ' ' B' ' 162' ' ' GLN . 9.1 mp0 -82.45 -161.08 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.723 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 11.4 ptt-85 -82.72 161.71 22.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.746 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 52.76 21.41 1.91 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.54 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 37.3 m -80.12 139.24 36.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.659 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 166' ' ' THR . . . . . 0.506 HG21 ' NZ ' ' B' ' 106' ' ' LYS . 8.5 m -85.7 146.67 26.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.421 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.1 mt -135.37 146.4 48.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 168' ' ' HIS . . . . . 0.619 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.2 OUTLIER -100.52 107.46 19.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.396 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 37.0 tp -84.67 144.07 28.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.427 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 170' ' ' VAL . . . . . 0.511 HG22 HD13 ' A' ' 36' ' ' LEU . 2.4 t -143.81 167.05 13.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.592 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.745 HD12 HH12 ' A' ' 40' ' ' ARG . 15.9 mt -103.82 101.23 11.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.244 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -60.65 106.99 0.62 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.488 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 173' ' ' LEU . . . . . 0.532 ' N ' HH12 ' A' ' 24' ' ' ARG . 13.2 mt -82.38 159.1 23.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.553 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -60.42 130.7 47.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.535 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . -177.11 36.11 0.09 OUTLIER Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.646 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 201' ' ' MET . . . . . 0.441 ' SD ' ' C ' ' C' ' 218' ' ' GLU . 1.6 ptm . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -72.36 107.24 4.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.609 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 27.3 pt -104.27 144.33 14.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.421 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -97.99 129.96 44.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.549 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 92.8 t -113.89 110.51 32.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.233 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -82.58 149.23 27.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.729 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 207' ' ' THR . . . . . 0.401 ' O ' ' N ' ' C' ' 210' ' ' GLY . 42.0 p -127.17 163.96 22.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.357 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 208' ' ' LEU . . . . . 1.011 HD22 ' H ' ' C' ' 208' ' ' LEU . 0.4 OUTLIER -46.08 -57.81 4.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.503 -179.867 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 209' ' ' THR . . . . . 0.419 HG23 ' H ' ' C' ' 209' ' ' THR . 7.6 p -56.37 -4.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 210' ' ' GLY . . . . . 0.5 ' H ' ' C ' ' C' ' 208' ' ' LEU . . . 86.81 -4.42 86.3 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 211' ' ' LYS . . . . . 0.505 ' NZ ' ' OE2' ' C' ' 234' ' ' GLU . 76.8 tttt -63.63 128.42 35.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 110.491 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 32.0 m -105.42 140.93 37.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.502 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 213' ' ' ILE . . . . . 0.41 HD13 HG21 ' C' ' 213' ' ' ILE . 4.7 mt -125.06 130.65 73.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.493 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 214' ' ' THR . . . . . 0.49 ' C ' HD22 ' C' ' 215' ' ' LEU . 4.9 m -98.48 105.88 18.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.545 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 215' ' ' LEU . . . . . 0.817 HD22 ' N ' ' C' ' 215' ' ' LEU . 2.3 mm? -99.27 131.53 45.23 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.665 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -88.49 76.0 8.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.067 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 217' ' ' VAL . . . . . 0.444 HG21 ' CD1' ' C' ' 256' ' ' LEU . 9.0 m -100.35 -160.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.11 0.481 . . . . 0.0 111.102 -179.431 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 218' ' ' GLU . . . . . 0.518 ' N ' ' OD2' ' C' ' 221' ' ' ASP . 2.4 mt-10 -148.16 170.27 7.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.613 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 219' ' ' PRO . . . . . 0.416 ' N ' ' SD ' ' C' ' 201' ' ' MET . 3.4 Cg_exo -72.73 -13.01 26.94 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 C-N-CA 122.31 2.006 . . . . 0.0 112.375 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.1 p -103.17 7.62 38.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.328 . . . . 0.0 110.583 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 221' ' ' ASP . . . . . 0.518 ' OD2' ' N ' ' C' ' 218' ' ' GLU . 6.4 m-20 -83.18 139.12 33.34 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.527 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 222' ' ' THR . . . . . 0.426 ' OG1' ' OD1' ' C' ' 225' ' ' ASN . 12.8 p -85.15 139.31 31.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.882 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 37.1 mm -46.2 -39.92 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.474 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -57.36 -45.22 84.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.429 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 225' ' ' ASN . . . . . 0.426 ' OD1' ' OG1' ' C' ' 222' ' ' THR . 2.8 m120 -60.61 -40.03 90.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.098 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 22.9 t -61.65 -43.75 97.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.026 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 227' ' ' LYS . . . . . 0.578 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 18.2 mttp -57.02 -40.87 77.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.072 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.52 97.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.305 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -61.17 -51.09 70.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.46 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 57.9 mt -57.54 -45.89 86.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.41 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 231' ' ' GLN . . . . . 0.432 ' O ' ' OE1' ' C' ' 231' ' ' GLN . 1.0 OUTLIER -56.75 -29.55 62.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.414 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -72.57 -39.99 66.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.337 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -70.65 -62.02 1.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.266 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 234' ' ' GLU . . . . . 0.505 ' OE2' ' NZ ' ' C' ' 211' ' ' LYS . 28.8 mm-40 -80.1 -103.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.51 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 235' ' ' GLY . . . . . 0.423 ' H ' ' H ' ' C' ' 236' ' ' ILE . . . 178.73 3.08 0.02 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 236' ' ' ILE . . . . . 0.423 ' H ' ' H ' ' C' ' 235' ' ' GLY . 52.8 mt -74.27 123.6 89.3 Favored Pre-proline 0 C--N 1.329 -0.292 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -58.5 152.56 54.09 Favored 'Trans proline' 0 C--N 1.314 -1.26 0 C-N-CA 121.594 1.529 . . . . 0.0 111.522 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 238' ' ' PRO . . . . . 0.497 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.6 Cg_endo -48.57 -68.07 0.1 OUTLIER 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 122.458 2.105 . . . . 0.0 111.968 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 239' ' ' ASP . . . . . 0.449 ' N ' ' OD1' ' C' ' 239' ' ' ASP . 3.4 m-20 -42.5 -23.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 240' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' C' ' 238' ' ' PRO . 76.4 mt-30 -101.52 32.49 3.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.852 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 241' ' ' GLN . . . . . 0.578 ' NE2' ' O ' ' C' ' 227' ' ' LYS . 19.5 mt-30 -134.6 82.99 2.0 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.778 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 242' ' ' ARG . . . . . 0.686 ' HE ' ' NE2' ' C' ' 249' ' ' GLN . 27.5 ttt85 -89.92 120.17 30.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.23 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 16.0 mt -97.46 129.18 44.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.089 0.471 . . . . 0.0 111.063 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.5 mt -127.38 119.82 53.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.19 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 245' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -100.75 78.48 1.97 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.886 0.374 . . . . 0.0 110.966 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 54.23 79.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 247' ' ' GLY . . . . . 0.662 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 59.99 42.08 98.19 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -150.86 92.2 1.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.786 0.327 . . . . 0.0 110.641 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 249' ' ' GLN . . . . . 0.686 ' NE2' ' HE ' ' C' ' 242' ' ' ARG . 13.8 tt0 -68.97 118.26 11.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.107 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 12.2 mt -79.59 138.32 37.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.913 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -81.87 158.98 23.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.391 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.05 -4.92 59.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.726 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -117.67 35.49 4.07 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 254' ' ' ARG . . . . . 0.425 ' HE ' ' HB3' ' C' ' 258' ' ' ASP . 17.7 mmm-85 -139.35 171.12 14.74 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 16.2 p -108.84 163.7 13.04 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.699 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 256' ' ' LEU . . . . . 0.444 ' CD1' HG21 ' C' ' 217' ' ' VAL . 83.1 mt -62.24 -33.43 74.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.806 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 257' ' ' SER . . . . . . . . . . . . . 5.4 p -61.59 -42.66 99.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.766 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 258' ' ' ASP . . . . . 0.425 ' HB3' ' HE ' ' C' ' 254' ' ' ARG . 1.2 m-20 -49.92 -41.28 45.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.625 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -85.12 1.12 49.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.72 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 260' ' ' ASN . . . . . 0.468 ' O ' ' ND2' ' C' ' 260' ' ' ASN . 4.8 t30 61.27 26.39 16.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 77.9 mt -69.69 109.3 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.292 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -79.24 -170.67 2.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -81.06 161.15 24.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.716 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 56.42 27.94 12.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.742 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 36.8 m -83.75 132.69 34.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.466 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 10.1 m -90.63 100.37 13.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.553 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 5.1 mt -85.88 164.96 17.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.462 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 268' ' ' HIS . . . . . 0.646 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -114.85 101.1 8.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.042 179.74 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 42.2 tp -81.15 143.17 32.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.723 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 270' ' ' VAL . . . . . 0.47 HG22 HD13 ' D' ' 336' ' ' LEU . 1.9 t -143.09 156.82 17.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.312 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 271' ' ' LEU . . . . . 0.66 ' N ' HD12 ' C' ' 271' ' ' LEU . 7.3 mp -98.62 98.74 9.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.372 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -52.24 101.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.507 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 273' ' ' LEU . . . . . 0.501 HD13 ' CG ' ' D' ' 343' ' ' PHE . 21.7 mt -75.38 143.76 42.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.527 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.553 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 313' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' D' ' 313' ' ' TYR . 10.6 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.773 0.32 . . . . 0.0 110.522 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 314' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' D' ' 314' ' ' ASP . 1.8 m-20 -79.35 92.74 5.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.561 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 315' ' ' LEU . . . . . 0.548 HD13 ' OE1' ' D' ' 342' ' ' GLU . 13.6 mt -107.55 46.19 0.96 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.282 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 7.4 t -64.83 -29.95 70.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.815 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 25.4 pttt -158.89 106.24 1.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.758 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -121.94 -175.07 3.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.064 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -123.07 163.5 20.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.654 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 320' ' ' TYR . . . . . 0.454 ' C ' ' CD1' ' D' ' 320' ' ' TYR . 10.8 t80 -63.3 -49.77 72.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.547 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -62.06 -35.93 80.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.697 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -67.85 -55.21 13.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.675 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 323' ' ' LEU . . . . . 0.625 HD21 ' CD ' ' D' ' 342' ' ' GLU . 15.2 mt -58.27 -57.41 13.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.594 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 324' ' ' ARG . . . . . 0.5 ' O ' ' ND2' ' D' ' 328' ' ' ASN . 7.9 tpt180 -53.11 -47.96 68.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.614 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 325' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' D' ' 329' ' ' THR . 5.3 t70 -60.1 -48.46 81.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.67 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 326' ' ' THR . . . . . 0.557 ' O ' ' N ' ' D' ' 330' ' ' SER . 12.2 m -52.56 -48.5 66.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.7 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 327' ' ' ILE . . . . . 0.437 HG23 HD22 ' D' ' 336' ' ' LEU . 90.6 mt -68.05 -31.86 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.677 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 328' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' D' ' 324' ' ' ARG . 1.5 m-80 -88.38 -12.65 42.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.161 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.538 ' N ' ' O ' ' D' ' 325' ' ' ASP . 59.1 p -115.96 -16.07 11.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.862 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 330' ' ' SER . . . . . 0.557 ' N ' ' O ' ' D' ' 326' ' ' THR . 3.3 t -111.04 -179.26 3.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.008 0.432 . . . . 0.0 110.889 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 331' ' ' CYS . . . . . 0.662 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 10.0 p -149.15 8.55 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.101 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 332' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' D' ' 333' ' ' ILE . 6.8 m-20 -70.06 93.84 0.83 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.426 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 333' ' ' ILE . . . . . 0.675 ' HA ' HD12 ' D' ' 336' ' ' LEU . 2.3 mt -38.71 -41.38 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.686 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -55.71 -54.5 43.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.169 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 335' ' ' LEU . . . . . 0.446 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 9.2 mt -62.33 -38.31 88.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.135 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 336' ' ' LEU . . . . . 0.675 HD12 ' HA ' ' D' ' 333' ' ' ILE . 90.1 mt -56.5 -44.05 80.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.199 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -68.45 -49.23 61.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.494 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.31 95.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.393 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 339' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 76.5 m -61.97 -53.4 56.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.254 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 340' ' ' ARG . . . . . 0.564 HH21 HD22 ' C' ' 271' ' ' LEU . 16.4 mtp-105 -52.94 -39.07 62.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.24 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -62.2 -62.74 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.604 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 342' ' ' GLU . . . . . 0.625 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.9 pt-20 -59.05 -34.65 72.17 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.545 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 343' ' ' PHE . . . . . 0.501 ' CG ' HD13 ' C' ' 273' ' ' LEU . 14.9 t80 -59.64 -49.04 79.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.644 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -73.18 -53.53 10.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.532 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -45.88 -44.02 14.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.473 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.451 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.689 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 11' ' ' LYS . 6.9 t -171.96 132.0 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.776 0.322 . . . . 0.0 110.538 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 10' ' ' THR . 45.6 tttm 59.37 120.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.607 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -74.83 -156.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.544 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -129.77 140.31 51.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.495 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -78.82 92.92 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.545 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 mt -91.2 37.76 0.95 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.569 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.7 t -79.72 -32.59 41.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.601 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 pttm -81.37 1.16 34.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.63 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -81.96 176.62 9.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.536 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -122.77 168.01 12.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.441 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.409 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 32.4 t80 -62.34 -46.95 86.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.759 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.81 -46.71 89.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.758 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -57.66 -57.17 13.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.662 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.574 HD13 ' OE1' ' A' ' 42' ' ' GLU . 23.3 mt -52.15 -60.71 2.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.499 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.8 tpt85 -52.8 -53.35 49.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.065 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' A' ' 29' ' ' THR . 5.6 t70 -51.05 -51.93 48.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.976 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.554 ' O ' ' N ' ' A' ' 30' ' ' SER . 29.7 m -48.33 -50.49 30.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.49 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 84.7 mt -69.02 -21.1 25.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.628 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.521 ' ND2' HH21 ' B' ' 142' ' ' ARG . 2.7 m120 -104.79 3.49 31.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.433 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.541 ' N ' ' O ' ' A' ' 25' ' ' ASP . 36.8 p -145.49 -2.58 0.76 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.362 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.554 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.2 t -118.26 163.62 16.4 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.07 0.462 . . . . 0.0 111.042 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.408 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 19.9 p -139.06 88.47 2.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.29 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -159.71 97.98 1.34 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.497 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.2 mt -39.56 -38.57 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.761 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -60.62 -59.05 6.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.352 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.7 mt -59.87 -47.19 86.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.14 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.9 mt -50.55 -43.4 56.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.424 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.45 -49.16 67.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.279 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.35 -44.9 92.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.381 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.495 ' O ' ' OE2' ' A' ' 42' ' ' GLU . 97.8 m -63.02 -44.57 95.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.23 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -65.85 -27.08 67.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.43 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -70.99 -61.4 1.77 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.574 ' OE1' HD13 ' A' ' 23' ' ' LEU . 3.0 pp20? -55.27 -34.53 64.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.95 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.476 ' N ' ' CD ' ' A' ' 42' ' ' GLU . 5.8 t80 -63.83 -49.01 74.49 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.183 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 42.7 m170 -64.34 -41.73 96.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.314 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.522 ' O ' ' N ' ' A' ' 49' ' ' VAL . 97.7 mtt180 -55.3 -54.08 48.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.353 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 -45.94 -34.37 3.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.59 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.0 mt -80.22 -35.35 36.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.493 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.3 mttm -86.58 -9.58 55.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.688 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.542 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 73.2 t -98.49 124.62 51.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.703 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.542 ' CD2' ' O ' ' A' ' 49' ' ' VAL . 19.6 m-85 -162.73 99.22 1.0 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.322 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.463 ' OXT' ' ND1' ' A' ' 51' ' ' HIS . 48.5 t-80 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.556 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.538 ' N ' ' O ' ' B' ' 117' ' ' VAL . 34.8 ttp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -85.32 133.49 34.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.546 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 19.3 pt -133.53 148.55 30.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.611 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -101.87 144.56 30.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.745 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 39.8 t -127.67 107.53 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.248 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -80.77 132.68 35.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.7 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' THR . . . . . 0.445 HG23 ' O ' ' B' ' 111' ' ' LYS . 40.9 p -89.41 -170.02 2.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.209 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.656 HD22 ' N ' ' B' ' 108' ' ' LEU . 2.9 mm? -75.91 -55.31 5.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.528 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 109' ' ' THR . . . . . 0.472 ' H ' HG23 ' B' ' 109' ' ' THR . 7.1 p -56.38 -47.71 78.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.566 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 146.86 -1.85 0.83 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.445 ' O ' HG23 ' B' ' 107' ' ' THR . 50.9 tttp -74.85 124.97 27.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.84 0.353 . . . . 0.0 110.578 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 6.8 m -97.57 155.38 16.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.555 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 4.0 mt -134.2 129.37 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.593 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 14.0 m -92.87 117.34 29.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.406 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 24.9 mt -119.67 130.87 55.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.774 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -88.35 123.07 32.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.137 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' B' ' 101' ' ' MET . 15.5 m -147.81 -168.05 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.861 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.421 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 10.4 mm-40 -141.16 149.52 55.63 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.944 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.82 -20.45 1.1 Allowed 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.584 2.189 . . . . 0.0 112.631 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.3 p -94.93 11.92 30.12 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.228 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' ASP . . . . . 0.421 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 1.9 m-20 -84.12 135.78 34.26 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.347 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 122' ' ' THR . . . . . 0.499 ' O ' ' N ' ' B' ' 125' ' ' ASN . 6.9 p -84.74 132.64 34.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.782 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 28.0 mm -42.43 -31.58 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.057 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -66.85 -39.95 87.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.166 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 125' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' B' ' 122' ' ' THR . 16.9 m120 -64.74 -38.95 92.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.941 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 14.1 t -65.19 -51.92 59.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.959 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 127' ' ' LYS . . . . . 0.403 ' HZ2' ' HB3' ' B' ' 141' ' ' GLN . 54.2 mttm -49.91 -39.26 39.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.037 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.0 -45.75 87.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.254 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -55.7 -39.1 70.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.305 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 8.9 mt -68.8 -39.42 80.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.259 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -58.34 -31.55 67.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.252 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -77.48 -42.24 36.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.636 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -64.55 -63.2 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.594 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -86.11 -108.11 0.05 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.629 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -172.98 11.57 0.04 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.789 -0.925 . . . . 0.0 110.789 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.555 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 45.2 mt -86.06 115.78 63.22 Favored Pre-proline 0 C--N 1.329 -0.307 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -64.24 153.38 76.86 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 121.534 1.489 . . . . 0.0 111.621 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.526 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.6 Cg_endo -48.11 -67.77 0.1 Allowed 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.503 2.135 . . . . 0.0 111.942 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -40.31 -23.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.991 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' B' ' 138' ' ' PRO . 81.0 mt-30 -101.48 33.67 2.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.7 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.555 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 81.4 mt-30 -134.61 164.44 27.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.685 ' HE ' ' NE2' ' B' ' 149' ' ' GLN . 16.7 ttt85 -170.42 105.96 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.859 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 11.3 mt -89.37 141.9 28.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.7 mt -127.97 133.21 67.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.985 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 145' ' ' PHE . . . . . 0.498 ' O ' ' N ' ' B' ' 148' ' ' LYS . 45.8 t80 -140.84 156.62 46.09 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.581 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 40.78 27.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.646 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 147' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' B' ' 145' ' ' PHE . . . 70.53 38.23 68.8 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 148' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' B' ' 145' ' ' PHE . 76.4 mttt -147.21 133.69 19.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.755 0.312 . . . . 0.0 110.617 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 149' ' ' GLN . . . . . 0.685 ' NE2' ' HE ' ' B' ' 142' ' ' ARG . 8.5 tt0 -68.99 138.13 54.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.384 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 16.7 mt -95.24 137.13 34.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.893 0.377 . . . . 0.0 110.662 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -84.19 163.02 19.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.636 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.7 -35.88 33.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.835 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -88.68 40.35 3.08 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.384 -0.687 . . . . 0.0 111.384 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -139.65 170.53 15.73 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 29.4 p -113.67 167.91 10.22 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.897 0.379 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 156' ' ' LEU . . . . . 0.432 ' CD1' HG21 ' B' ' 117' ' ' VAL . 84.5 mt -62.54 -39.53 93.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.68 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 157' ' ' SER . . . . . 0.459 ' C ' ' H ' ' B' ' 159' ' ' TYR . 10.4 t -63.75 -30.46 71.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -69.41 10.68 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.783 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 159' ' ' TYR . . . . . 0.459 ' H ' ' C ' ' B' ' 157' ' ' SER . 48.2 m-85 -140.72 13.05 2.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.508 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 160' ' ' ASN . . . . . 0.421 ' O ' ' OD1' ' B' ' 160' ' ' ASN . 53.4 t-20 59.2 23.44 11.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.648 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 93.0 mt -76.12 94.86 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.445 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -80.02 -156.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.688 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -80.96 159.79 24.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.741 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 54.88 36.08 25.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.701 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 26.4 m -88.24 137.67 32.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.532 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 4.9 m -92.89 107.7 19.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.581 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 11.2 mt -99.74 123.73 44.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.662 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 168' ' ' HIS . . . . . 0.691 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -81.49 111.32 17.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.035 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 27.5 tp -89.83 122.7 33.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.705 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.1 t -122.78 139.03 50.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.264 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.652 ' N ' HD12 ' B' ' 171' ' ' LEU . 8.0 mp -81.03 101.94 9.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.555 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -57.73 103.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.484 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 173' ' ' LEU . . . . . 0.459 HD13 ' CG ' ' A' ' 43' ' ' PHE . 21.6 mt -70.12 113.92 7.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.579 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -85.17 131.44 34.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.487 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 179.7 -79.82 0.06 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.692 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 201' ' ' MET . . . . . 0.541 ' N ' ' O ' ' C' ' 217' ' ' VAL . 31.5 ttp . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 202' ' ' GLN . . . . . 0.412 ' N ' ' CG ' ' C' ' 201' ' ' MET . 61.7 mt-30 -126.77 113.1 16.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.265 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 25.9 pt -110.46 148.89 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.969 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 204' ' ' PHE . . . . . 0.447 ' HD1' ' HG1' ' C' ' 214' ' ' THR . 57.5 m-85 -103.25 157.1 17.24 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.388 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 23.2 t -136.5 105.1 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.228 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -81.35 129.78 34.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.639 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 207' ' ' THR . . . . . 0.434 HG23 ' O ' ' C' ' 211' ' ' LYS . 36.8 p -87.79 -171.6 3.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.381 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 208' ' ' LEU . . . . . 0.628 ' N ' HD22 ' C' ' 208' ' ' LEU . 3.2 mm? -71.03 -59.35 2.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.544 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 17.3 p -56.39 -46.49 80.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.542 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 149.95 -13.07 0.98 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 211' ' ' LYS . . . . . 0.434 ' O ' HG23 ' C' ' 207' ' ' THR . 82.7 tttt -57.58 118.31 5.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.81 0.338 . . . . 0.0 110.595 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 18.1 m -97.63 154.39 17.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.504 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 1.5 mt -135.7 126.57 43.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.617 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 214' ' ' THR . . . . . 0.447 ' HG1' ' HD1' ' C' ' 204' ' ' PHE . 17.9 m -98.51 128.31 44.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.439 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 36.4 mt -131.42 136.44 48.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.874 0.369 . . . . 0.0 110.781 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -86.3 123.9 32.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.184 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 217' ' ' VAL . . . . . 0.541 ' O ' ' N ' ' C' ' 201' ' ' MET . 16.1 m -147.74 -174.55 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.928 0.394 . . . . 0.0 110.968 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 218' ' ' GLU . . . . . 0.464 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 48.1 mt-10 -133.6 151.87 77.99 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.9 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.37 -26.68 4.21 Favored 'Trans proline' 0 C--N 1.31 -1.492 0 C-N-CA 122.608 2.205 . . . . 0.0 112.577 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 2.8 p -79.91 -28.81 39.76 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.139 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 221' ' ' ASP . . . . . 0.464 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 1.2 m-20 -42.69 135.61 2.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.915 0.388 . . . . 0.0 110.65 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 222' ' ' THR . . . . . 0.438 ' O ' ' N ' ' C' ' 225' ' ' ASN . 19.3 p -89.51 139.17 30.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.538 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 19.4 mm -43.77 -47.32 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.524 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -55.68 -33.49 64.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.402 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 225' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' C' ' 222' ' ' THR . 10.6 t-20 -67.87 -42.08 81.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.218 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 22.0 t -63.85 -47.31 91.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.24 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -55.75 -38.73 70.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.111 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.39 98.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.184 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -60.18 -46.62 89.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.339 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 61.2 mt -59.96 -40.14 82.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.27 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -61.35 -30.91 70.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.219 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -78.36 -17.63 56.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.48 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -89.94 -61.8 1.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.594 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -85.38 -107.0 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.576 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -175.98 18.04 0.04 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 236' ' ' ILE . . . . . 0.507 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 23.9 mt -89.53 114.39 60.31 Favored Pre-proline 0 C--N 1.33 -0.263 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.14 150.03 81.55 Favored 'Trans proline' 0 N--CA 1.488 1.197 0 C-N-CA 121.46 1.44 . . . . 0.0 111.487 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -47.63 -56.74 2.82 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.337 2.025 . . . . 0.0 111.854 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 239' ' ' ASP . . . . . 0.486 ' O ' ' NE ' ' C' ' 272' ' ' ARG . 2.6 p-10 -50.14 -21.44 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.54 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -106.54 33.89 3.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.634 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 241' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 79.6 mt-30 -134.37 150.25 50.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.604 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 242' ' ' ARG . . . . . 0.652 ' NH2' ' ND2' ' D' ' 328' ' ' ASN . 41.7 ttt85 -155.63 115.79 3.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.166 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 243' ' ' LEU . . . . . 0.502 ' N ' ' CD1' ' C' ' 243' ' ' LEU . 6.6 mp -93.71 126.48 38.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.801 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.4 mt -128.33 117.59 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 245' ' ' PHE . . . . . 0.53 ' CE2' ' OD2' ' A' ' 25' ' ' ASP . 44.9 t80 -105.71 77.41 1.26 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.896 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 62.21 89.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.808 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 247' ' ' GLY . . . . . 0.58 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 45.92 43.01 12.12 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -150.81 97.66 2.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 110.697 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.62 118.23 19.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.096 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 10.7 mt -77.51 137.47 38.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 111.044 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -80.8 160.37 24.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.4 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.62 -7.04 59.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.867 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -117.52 40.95 2.19 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -137.23 175.41 9.64 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 255' ' ' THR . . . . . 0.489 ' C ' ' H ' ' C' ' 257' ' ' SER . 21.9 p -119.36 157.2 28.64 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.542 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 256' ' ' LEU . . . . . 0.411 ' CD1' HG21 ' C' ' 217' ' ' VAL . 94.1 mt -57.87 -3.63 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.606 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 257' ' ' SER . . . . . 0.489 ' H ' ' C ' ' C' ' 255' ' ' THR . 76.9 p -96.4 -20.58 18.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.623 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.8 10.82 4.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.705 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -140.59 8.9 2.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.61 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 61.33 14.35 5.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 74.0 mt -61.74 94.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.366 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 262' ' ' GLN . . . . . 0.418 ' C ' ' SD ' ' C' ' 201' ' ' MET . 2.5 tt0 -76.95 -156.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.697 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -83.71 156.9 22.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.932 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 59.57 33.8 22.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.963 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 39.9 m -89.19 126.84 35.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.534 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 9.6 m -85.67 110.73 19.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.562 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 11.9 mt -99.45 120.46 39.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.706 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 268' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -76.82 113.47 14.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.343 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 30.1 tp -90.09 124.08 34.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.61 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 270' ' ' VAL . . . . . 0.426 ' CG2' HD13 ' D' ' 336' ' ' LEU . 2.2 t -124.78 139.45 50.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.179 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 271' ' ' LEU . . . . . 0.633 ' N ' HD12 ' C' ' 271' ' ' LEU . 8.3 mp -74.71 103.58 5.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.657 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 272' ' ' ARG . . . . . 0.486 ' NE ' ' O ' ' C' ' 239' ' ' ASP . 53.2 ttp85 -61.1 105.43 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.483 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 273' ' ' LEU . . . . . . . . . . . . . 23.2 mt -71.75 171.61 11.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.624 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 -71.26 -174.76 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.588 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . -179.01 -86.03 0.06 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.556 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.648 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 310' ' ' THR . . . . . 0.431 ' O ' ' O ' ' D' ' 311' ' ' LYS . 6.2 t -163.62 134.71 4.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.329 . . . . 0.0 110.551 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 311' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' D' ' 310' ' ' THR . 27.5 mmtt 40.35 94.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.716 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 312' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt -126.49 -176.49 3.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.489 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -114.73 147.22 40.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.508 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -84.73 92.84 8.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.512 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 15.2 mt -95.09 33.65 1.5 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.543 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 56.2 m -91.19 18.53 6.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.657 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -144.37 26.52 1.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.587 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -96.23 171.24 8.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.397 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.418 ' H ' ' HB2' ' D' ' 322' ' ' GLU . 27.6 mmtp -121.58 165.83 15.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.497 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -54.22 -49.02 70.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.554 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 321' ' ' ALA . . . . . 0.41 ' O ' ' CB ' ' D' ' 325' ' ' ASP . . . -63.11 -41.35 99.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 322' ' ' GLU . . . . . 0.418 ' HB2' ' H ' ' D' ' 319' ' ' LYS . 64.0 mm-40 -56.56 -59.43 5.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.748 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.53 HD21 ' CD ' ' D' ' 342' ' ' GLU . 15.3 mt -58.19 -57.82 11.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.643 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 324' ' ' ARG . . . . . . . . . . . . . 10.5 tpt85 -53.99 -53.28 55.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.064 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 325' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' D' ' 329' ' ' THR . 36.5 t70 -63.32 -44.75 94.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.968 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 326' ' ' THR . . . . . 0.457 ' O ' ' CB ' ' D' ' 330' ' ' SER . 65.6 m -59.12 -39.29 81.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.606 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 327' ' ' ILE . . . . . 0.552 HG23 HD22 ' D' ' 336' ' ' LEU . 78.7 mt -73.31 -32.97 39.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.176 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 328' ' ' ASN . . . . . 0.652 ' ND2' ' NH2' ' C' ' 242' ' ' ARG . 2.4 m120 -85.33 -21.73 28.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.975 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.492 ' N ' ' O ' ' D' ' 325' ' ' ASP . 57.9 p -102.28 -36.56 8.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.926 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 330' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' D' ' 326' ' ' THR . 1.2 t -92.04 179.55 5.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.971 0.415 . . . . 0.0 111.039 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 331' ' ' CYS . . . . . 0.58 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 11.3 p -147.24 9.56 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.213 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 332' ' ' ASP . . . . . 0.43 ' CB ' HD12 ' D' ' 335' ' ' LEU . 0.7 OUTLIER -66.35 93.85 0.24 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.432 -179.672 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 1.6 mt -38.52 -46.51 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.953 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -53.28 -57.34 10.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.114 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 335' ' ' LEU . . . . . 0.508 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 9.5 mt -57.72 -46.22 84.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.018 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 336' ' ' LEU . . . . . 0.552 HD22 HG23 ' D' ' 327' ' ' ILE . 93.3 mt -51.51 -43.07 62.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.51 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -67.22 -49.08 65.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.707 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -68.13 -32.85 73.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.984 0.421 . . . . 0.0 110.714 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 339' ' ' CYS . . . . . 0.508 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 84.3 m -68.29 -43.37 77.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.19 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 340' ' ' ARG . . . . . 0.4 ' CZ ' ' CB ' ' D' ' 340' ' ' ARG . 10.1 mtp-105 -69.55 -40.45 76.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.942 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 341' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' D' ' 342' ' ' GLU . 5.1 pt-20 -63.84 -43.93 94.69 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.632 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 342' ' ' GLU . . . . . 0.53 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.8 pt-20 -69.86 -37.88 76.24 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.182 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -59.53 -45.56 91.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.884 0.373 . . . . 0.0 110.277 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -66.97 -53.46 31.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.466 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 345' ' ' ARG . . . . . 0.419 ' O ' HG22 ' D' ' 349' ' ' VAL . 54.8 mtp180 -45.84 -54.84 7.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.235 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -46.15 -38.57 8.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.443 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 76.4 mt -76.54 -50.56 13.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.51 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -63.83 -72.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.568 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 349' ' ' VAL . . . . . 0.431 ' H ' HG22 ' D' ' 349' ' ' VAL . 16.0 m -80.18 -169.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.53 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 350' ' ' TYR . . . . . 0.423 ' CD2' ' O ' ' D' ' 349' ' ' VAL . 72.1 m-85 -156.15 25.86 0.36 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.452 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 351' ' ' HIS . . . . . 0.548 ' N ' ' ND1' ' D' ' 351' ' ' HIS . 4.7 p-80 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.658 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.688 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.1 p -87.92 -155.2 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.03 0.443 . . . . 0.0 110.476 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -108.68 102.75 11.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.53 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.529 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 24.6 mmtp -78.82 -170.13 2.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.485 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.529 ' CD1' ' O ' ' A' ' 12' ' ' LYS . 8.4 m-85 -150.58 112.31 4.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.596 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.3 p30 -79.31 93.63 5.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.454 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.8 mt -91.31 43.7 1.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.8 t -86.24 -5.34 59.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.794 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.9 mttp -147.59 78.19 1.45 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.776 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -128.77 163.21 25.66 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.355 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -107.35 164.34 12.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.536 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -63.08 -49.29 75.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.411 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.05 -38.87 84.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.635 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -63.11 -56.72 14.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.743 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.513 HD21 ' CD ' ' A' ' 42' ' ' GLU . 15.1 mt -54.37 -58.33 7.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.617 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.425 ' NE ' ' O ' ' B' ' 173' ' ' LEU . 5.9 tpt180 -53.01 -52.28 58.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.519 ' OD1' ' CE2' ' C' ' 245' ' ' PHE . 36.8 t0 -53.02 -51.57 61.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.332 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 30' ' ' SER . 6.5 m -50.96 -47.91 61.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.863 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.9 mt -74.36 -18.31 16.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.828 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -99.63 -4.13 31.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.17 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 20.6 p -135.45 -40.74 0.72 Allowed 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.074 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.524 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.9 OUTLIER -71.98 168.42 18.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.968 0.413 . . . . 0.0 111.095 -179.358 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.7 p -146.78 88.01 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.319 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -162.42 99.7 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.604 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.409 HG13 ' H ' ' A' ' 33' ' ' ILE . 5.4 mt -39.87 -36.69 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.633 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -62.1 -58.94 5.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.261 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.0 mt -60.62 -48.29 82.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.046 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.0 mt -53.87 -46.78 71.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.512 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.78 -49.09 79.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.432 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.12 -53.17 59.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.493 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 78.9 m -51.75 -43.65 63.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.371 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.8 mtp85 -65.91 -38.27 88.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.522 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -62.32 -46.05 90.45 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.945 -179.261 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.522 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 3.7 pt-20 -71.08 -35.34 71.82 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.475 ' CG ' HD13 ' B' ' 173' ' ' LEU . 2.9 t80 -61.43 -42.34 98.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.899 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -68.61 -53.82 20.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.282 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 84.0 mtt-85 -46.42 -53.48 10.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.94 0.4 . . . . 0.0 110.247 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -47.31 -40.57 17.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.51 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.6 mt -72.75 -49.19 32.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.552 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -48.83 -51.68 28.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.595 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.9 m -75.1 -171.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.585 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -77.28 64.56 2.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.625 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 78.7 m80 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.653 -179.91 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.543 ' N ' ' O ' ' B' ' 117' ' ' VAL . 30.3 ttp . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' GLN . . . . . 0.522 ' OE1' ' N ' ' B' ' 103' ' ' ILE . 0.9 OUTLIER -91.4 130.41 37.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.491 179.852 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.522 ' N ' ' OE1' ' B' ' 102' ' ' GLN . 24.6 pt -134.75 146.3 30.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.79 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -100.62 136.4 40.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.735 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 85.4 t -122.82 105.09 15.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.279 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -91.22 135.33 33.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.678 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 31.3 p -90.78 -163.35 1.01 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.408 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.955 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.4 OUTLIER -86.31 -26.48 24.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.505 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 4.5 p -76.78 -46.13 26.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.562 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 142.21 3.5 1.04 Allowed Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -75.71 129.41 37.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.734 0.302 . . . . 0.0 110.659 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 64.6 m -112.15 111.67 22.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.543 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.401 HD13 HG21 ' B' ' 113' ' ' ILE . 7.9 mt -97.45 133.52 38.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.56 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 114' ' ' THR . . . . . 0.482 ' C ' HD22 ' B' ' 115' ' ' LEU . 34.5 m -99.7 105.55 17.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.397 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.836 HD22 ' N ' ' B' ' 115' ' ' LEU . 1.9 mm? -101.65 133.21 46.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.762 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -96.22 95.17 7.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.85 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' B' ' 101' ' ' MET . 19.3 m -119.54 -162.37 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.012 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.548 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 17.4 mt-10 -147.78 152.87 41.9 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.841 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -46.04 -43.6 20.04 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.773 2.315 . . . . 0.0 112.759 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.76 15.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.463 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 121' ' ' ASP . . . . . 0.548 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 2.9 m-20 -91.59 136.07 33.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.363 . . . . 0.0 110.404 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 3.6 p -82.34 140.41 33.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.045 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 34.3 mm -46.53 -47.25 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.235 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -52.79 -37.02 59.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.201 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -65.0 -41.94 94.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.988 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 17.6 t -62.16 -39.81 85.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.963 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -61.09 -36.92 80.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.204 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.71 -42.06 91.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.182 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -61.37 -51.61 68.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.372 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 69.1 mt -56.35 -46.08 81.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.399 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 131' ' ' GLN . . . . . 0.572 ' NE2' ' O ' ' B' ' 131' ' ' GLN . 1.5 tm0? -55.53 -31.87 62.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.12 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -70.11 -37.97 75.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.353 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -72.65 -63.68 1.11 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.22 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -79.93 -117.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.633 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -165.26 9.91 0.07 OUTLIER Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.439 ' O ' ' OE1' ' B' ' 141' ' ' GLN . 25.7 mt -79.75 116.31 60.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.91 152.12 76.88 Favored 'Trans proline' 0 C--N 1.314 -1.282 0 C-N-CA 121.497 1.465 . . . . 0.0 111.454 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -47.28 -67.97 0.1 Allowed 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.444 2.096 . . . . 0.0 112.004 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -43.49 -22.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' B' ' 138' ' ' PRO . 77.7 mt-30 -102.63 35.61 2.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.814 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.439 ' OE1' ' O ' ' B' ' 136' ' ' ILE . 33.7 mt-30 -134.62 165.92 24.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.9 0.381 . . . . 0.0 110.811 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.689 HH21 ' NE ' ' B' ' 172' ' ' ARG . 23.1 ttm180 -170.32 132.16 1.0 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.093 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 14.8 mt -112.77 135.27 53.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.061 0.458 . . . . 0.0 111.063 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.7 mt -125.09 128.91 73.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.095 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -146.6 153.62 40.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.555 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 54.56 26.49 7.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 67.9 30.88 74.57 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -147.9 140.48 24.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.746 0.308 . . . . 0.0 110.47 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 149' ' ' GLN . . . . . 0.572 ' NE2' ' CZ ' ' B' ' 142' ' ' ARG . 31.0 tt0 -73.85 139.24 44.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.516 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 17.5 mt -91.3 139.23 30.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.678 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -78.92 158.29 28.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.575 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.09 3.72 45.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.703 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -122.9 23.81 6.88 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -125.4 172.54 9.55 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 30.4 p -113.83 157.63 22.06 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.893 0.378 . . . . 0.0 110.521 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 156' ' ' LEU . . . . . 0.497 ' CD1' HG21 ' B' ' 117' ' ' VAL . 64.0 mt -57.24 -22.23 39.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.513 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 7.8 t -79.16 -20.63 47.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.589 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -82.08 12.09 4.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.603 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -140.74 9.75 2.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.545 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 160' ' ' ASN . . . . . 0.54 ' ND2' ' O ' ' B' ' 160' ' ' ASN . 1.4 t30 62.78 16.29 8.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 97.2 mt -68.4 92.24 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.809 0.338 . . . . 0.0 110.354 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -78.63 -157.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.749 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 163' ' ' ARG . . . . . 0.426 ' NH1' ' CG ' ' B' ' 163' ' ' ARG . 14.2 ptt-85 -80.38 161.2 25.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.688 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 57.57 34.33 24.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.753 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 8.6 m -89.45 129.33 35.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.463 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 15.2 m -94.18 99.99 12.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.638 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 2.0 mp -91.77 152.12 20.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.59 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 168' ' ' HIS . . . . . 0.68 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -100.59 117.16 34.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.081 179.715 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 40.0 tp -92.06 130.92 37.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.429 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.0 t -135.88 139.57 45.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.337 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.682 ' N ' HD12 ' B' ' 171' ' ' LEU . 7.8 mp -81.08 110.25 16.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.543 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 172' ' ' ARG . . . . . 0.689 ' NE ' HH21 ' B' ' 142' ' ' ARG . 16.9 ttm180 -66.02 104.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.547 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 173' ' ' LEU . . . . . 0.475 HD13 ' CG ' ' A' ' 43' ' ' PHE . 25.4 mt -76.61 102.47 6.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.489 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 16.7 ttp85 -77.63 156.61 30.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 160.05 121.79 0.61 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.682 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 201' ' ' MET . . . . . 0.521 ' N ' ' O ' ' C' ' 217' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -88.58 113.85 24.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.758 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 15.5 pt -107.39 147.74 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.584 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -100.82 145.43 28.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.451 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 91.1 t -129.18 109.12 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.315 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -83.96 138.04 33.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.75 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 18.4 p -101.81 -150.45 0.4 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.346 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 208' ' ' LEU . . . . . 0.943 HD22 ' H ' ' C' ' 208' ' ' LEU . 0.4 OUTLIER -88.8 -44.48 10.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.518 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 209' ' ' THR . . . . . 0.489 ' C ' ' H ' ' C' ' 211' ' ' LYS . 7.5 p -74.39 23.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.599 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 210' ' ' GLY . . . . . 0.488 ' H ' ' C ' ' C' ' 208' ' ' LEU . . . 72.75 -18.23 1.42 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 211' ' ' LYS . . . . . 0.489 ' H ' ' C ' ' C' ' 209' ' ' THR . 78.6 tttt -46.14 159.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.725 0.298 . . . . 0.0 110.559 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 6.6 m -139.49 146.04 39.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.589 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 213' ' ' ILE . . . . . 0.41 HD13 HG21 ' C' ' 213' ' ' ILE . 4.6 mt -128.41 129.67 69.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.73 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 17.4 m -100.67 116.89 33.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.206 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 29.9 mt -124.72 137.38 54.35 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.911 0.386 . . . . 0.0 110.915 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -82.06 126.59 32.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.11 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 217' ' ' VAL . . . . . 0.521 ' O ' ' N ' ' C' ' 201' ' ' MET . 12.9 m -147.05 -174.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.949 0.404 . . . . 0.0 111.002 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 218' ' ' GLU . . . . . 0.589 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 2.9 mt-10 -140.54 149.91 58.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.694 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.9 -43.72 15.05 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.333 2.022 . . . . 0.0 112.293 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.4 p -62.66 -34.44 77.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.093 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 221' ' ' ASP . . . . . 0.589 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 5.9 m-20 -41.65 135.31 2.22 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 110.817 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 41.4 p -86.35 149.13 25.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.804 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 29.8 mm -54.47 -43.95 65.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.321 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 224' ' ' GLU . . . . . 0.42 ' CD ' ' N ' ' C' ' 225' ' ' ASN . 2.4 pp20? -57.2 -39.24 75.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.331 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 225' ' ' ASN . . . . . 0.52 ' OD1' ' NZ ' ' C' ' 229' ' ' LYS . 46.4 t-20 -63.37 -38.37 90.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.086 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 55.4 t -65.04 -55.1 22.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.173 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 227' ' ' LYS . . . . . 0.511 ' NZ ' ' O ' ' C' ' 241' ' ' GLN . 43.5 mttm -48.16 -39.51 21.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.164 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.79 89.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.25 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 229' ' ' LYS . . . . . 0.52 ' NZ ' ' OD1' ' C' ' 225' ' ' ASN . 38.3 mttp -56.2 -39.81 73.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.351 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 6.6 mt -67.44 -37.98 79.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.296 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -62.16 -27.13 68.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.361 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.58 -26.93 29.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.789 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 26.5 mmtm -82.39 -62.82 1.51 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.756 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -85.07 -104.64 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.806 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -175.79 19.55 0.05 OUTLIER Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 236' ' ' ILE . . . . . 0.517 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 17.6 mt -95.18 111.36 54.63 Favored Pre-proline 0 C--N 1.33 -0.266 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -63.74 153.4 75.61 Favored 'Trans proline' 0 C--N 1.314 -1.277 0 C-N-CA 121.604 1.536 . . . . 0.0 111.777 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 238' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.8 Cg_endo -46.76 -60.4 0.89 Allowed 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.673 2.248 . . . . 0.0 111.871 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -45.56 -23.04 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.612 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 240' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' C' ' 238' ' ' PRO . 18.2 mm-40 -109.56 36.02 3.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.473 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 241' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 55.3 mt-30 -134.42 147.53 50.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.31 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 242' ' ' ARG . . . . . 0.648 ' NH2' HE22 ' C' ' 249' ' ' GLN . 1.1 ttt-85 -154.9 105.84 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.127 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 19.6 mt -86.53 128.34 34.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.615 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.6 mt -127.95 133.13 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.619 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 245' ' ' PHE . . . . . 0.519 ' CE2' ' OD1' ' A' ' 25' ' ' ASP . 65.9 t80 -125.35 90.13 3.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.664 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 246' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' C' ' 245' ' ' PHE . . . 64.42 53.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.804 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 247' ' ' GLY . . . . . 0.512 ' H ' ' HB3' ' D' ' 331' ' ' CYS . . . 77.25 -15.41 6.94 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -81.89 94.28 7.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.349 . . . . 0.0 110.597 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 249' ' ' GLN . . . . . 0.648 HE22 ' NH2' ' C' ' 242' ' ' ARG . 26.8 tt0 -71.66 124.34 24.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.129 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 9.0 mt -83.66 133.77 34.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 110.843 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 251' ' ' GLU . . . . . 0.471 ' CD ' ' N ' ' C' ' 251' ' ' GLU . 1.2 mp0 -86.85 161.43 18.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.44 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.66 -28.15 60.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.865 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -94.92 41.97 2.45 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 36.5 mmt-85 -139.69 177.96 7.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.73 0.3 . . . . 0.0 110.498 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 40.8 p -123.72 164.85 18.3 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.619 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 97.6 mt -65.85 -12.76 56.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.683 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 257' ' ' SER . . . . . 0.489 ' C ' ' H ' ' C' ' 259' ' ' TYR . 9.4 t -85.77 -31.26 22.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.648 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.8 17.21 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.619 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 259' ' ' TYR . . . . . 0.489 ' H ' ' C ' ' C' ' 257' ' ' SER . 65.6 m-85 -140.62 1.77 1.75 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.599 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 2.4 m120 64.13 20.01 12.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 87.5 mt -68.67 102.96 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.442 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -80.79 -156.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.81 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 263' ' ' LYS . . . . . 0.443 ' HD3' ' H ' ' C' ' 263' ' ' LYS . 0.0 OUTLIER -85.41 159.78 19.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.735 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 53.06 32.16 12.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.706 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 53.9 m -81.8 128.75 34.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.513 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 85.5 m -88.81 104.91 17.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.549 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 8.2 mt -91.76 167.25 12.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.586 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 268' ' ' HIS . . . . . 0.627 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -121.97 98.31 5.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.021 179.778 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 63.2 tp -78.47 148.57 33.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.781 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 270' ' ' VAL . . . . . 0.485 HG22 HD13 ' D' ' 336' ' ' LEU . 2.1 t -145.29 165.61 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.249 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 271' ' ' LEU . . . . . 0.534 ' N ' HD12 ' C' ' 271' ' ' LEU . 7.5 mp -101.45 84.55 2.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.387 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -45.64 90.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.499 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 273' ' ' LEU . . . . . 0.525 ' O ' ' NH2' ' D' ' 324' ' ' ARG . 26.5 mt -56.8 165.29 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.447 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -172.46 -155.45 0.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.481 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . 82.84 110.75 0.48 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 9.2 p . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.55 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.712 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 19.8 p -67.3 79.38 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.606 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 311' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' D' ' 312' ' ' LYS . 47.9 mtmt -80.94 84.21 6.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.581 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 312' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' D' ' 311' ' ' LYS . 40.3 mmtt 44.57 -172.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.637 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -96.56 134.8 39.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.548 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.01 92.84 6.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.481 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 315' ' ' LEU . . . . . 0.401 HD12 ' OE1' ' D' ' 342' ' ' GLU . 13.8 mt -96.39 36.62 1.33 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.585 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 31.6 p -84.73 18.47 2.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.607 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -146.65 40.9 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.65 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -109.86 176.72 4.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.454 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.508 ' N ' ' OE1' ' D' ' 322' ' ' GLU . 35.0 mttp -125.39 169.86 11.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.614 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -61.6 -46.63 89.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.524 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 321' ' ' ALA . . . . . 0.404 ' O ' ' CB ' ' D' ' 325' ' ' ASP . . . -60.4 -50.36 73.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.687 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 322' ' ' GLU . . . . . 0.508 ' OE1' ' N ' ' D' ' 319' ' ' LYS . 66.3 mt-10 -54.93 -56.9 14.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.827 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.554 HD21 ' CD ' ' D' ' 342' ' ' GLU . 14.2 mt -58.91 -59.74 4.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.661 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 324' ' ' ARG . . . . . 0.525 ' NH2' ' O ' ' C' ' 273' ' ' LEU . 6.9 tpt180 -52.95 -41.28 64.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.685 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 325' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' D' ' 329' ' ' THR . 10.1 t70 -68.53 -45.87 71.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.745 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 326' ' ' THR . . . . . 0.548 ' O ' ' N ' ' D' ' 330' ' ' SER . 29.6 m -57.53 -46.27 84.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.567 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 327' ' ' ILE . . . . . 0.44 HG23 HD22 ' D' ' 336' ' ' LEU . 96.5 mt -72.1 -31.15 38.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.606 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 328' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -84.31 -22.92 30.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.026 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.517 ' N ' ' O ' ' D' ' 325' ' ' ASP . 61.8 p -108.8 -49.15 3.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.923 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 330' ' ' SER . . . . . 0.548 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.4 OUTLIER -74.36 178.55 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.002 0.429 . . . . 0.0 110.859 -179.563 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 331' ' ' CYS . . . . . 0.512 ' HB3' ' H ' ' C' ' 247' ' ' GLY . 3.0 p -146.46 9.43 1.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.12 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -66.13 91.61 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.485 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 333' ' ' ILE . . . . . 0.683 ' HA ' HD12 ' D' ' 336' ' ' LEU . 2.2 mt -38.31 -40.8 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.856 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -56.46 -54.73 42.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.236 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 335' ' ' LEU . . . . . 0.497 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 10.1 mt -62.86 -36.56 83.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.301 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 336' ' ' LEU . . . . . 0.683 HD12 ' HA ' ' D' ' 333' ' ' ILE . 93.2 mt -57.01 -43.74 82.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.115 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -69.53 -49.05 58.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.671 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.77 -40.08 94.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.469 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 339' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 85.3 m -64.82 -42.23 95.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.079 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 -66.27 -44.14 84.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.157 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 341' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' D' ' 342' ' ' GLU . 4.2 pt-20 -62.35 -45.07 94.83 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.861 -179.135 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 342' ' ' GLU . . . . . 0.554 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.2 pt-20 -67.9 -35.96 79.37 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.14 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -60.75 -43.61 97.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.965 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -66.18 -53.09 41.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.197 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -46.34 -54.65 8.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.362 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -47.15 -45.16 22.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.581 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 92.2 mt -64.88 -37.18 86.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.424 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -63.9 -60.59 3.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.539 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 349' ' ' VAL . . . . . 0.445 HG13 ' O ' ' D' ' 349' ' ' VAL . 10.5 p -86.28 130.75 36.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.508 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 350' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -68.45 70.42 0.17 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.553 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 351' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.567 179.934 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . . . . . . 0 CA--C 1.525 0.707 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.625 HG23 ' O ' ' A' ' 10' ' ' THR . 5.7 t -46.82 94.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.932 0.396 . . . . 0.0 110.546 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 9' ' ' GLY . 49.8 tttp -120.75 52.42 1.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.451 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.459 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 2.7 mptp? -53.12 -176.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.473 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 16.7 m-85 -91.26 141.09 29.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.598 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.75 92.97 6.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.562 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.5 mt -94.99 44.9 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.383 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.6 t -80.37 15.88 1.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -172.36 84.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.658 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.6 m95 -133.96 161.75 33.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.318 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -105.37 165.57 11.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.758 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -66.29 -48.49 70.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.621 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.63 -36.3 82.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.804 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.54 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 3.6 mp0 -67.58 -49.12 64.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.573 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.542 HD21 ' CD ' ' A' ' 42' ' ' GLU . 15.3 mt -58.75 -58.99 6.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.286 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.656 HH21 ' NH1' ' B' ' 142' ' ' ARG . 5.5 tpt180 -53.12 -53.14 54.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.449 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.46 ' OD1' ' CZ ' ' C' ' 245' ' ' PHE . 60.7 t0 -52.82 -50.96 62.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.436 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.582 ' O ' ' N ' ' A' ' 30' ' ' SER . 99.5 m -51.16 -48.9 61.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.726 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.5 -25.48 33.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.505 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -93.08 -7.44 45.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 14.2 p -129.02 -6.24 4.96 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.656 0.265 . . . . 0.0 110.734 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.582 ' N ' ' O ' ' A' ' 26' ' ' THR . 2.4 t -121.04 147.26 45.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.906 0.384 . . . . 0.0 110.812 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.432 ' HB3' ' H ' ' B' ' 147' ' ' GLY . 12.4 p -119.97 17.18 12.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.041 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' ILE . 10.7 m-20 -75.24 90.94 2.61 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.586 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.636 ' HA ' HD12 ' A' ' 36' ' ' LEU . 3.1 mt -38.7 -39.08 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.824 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -58.62 -59.02 6.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.38 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.449 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 13.4 mt -58.69 -40.17 82.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.139 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 33' ' ' ILE . 90.6 mt -55.74 -43.53 76.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.282 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.04 -48.9 66.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.371 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.65 -45.65 93.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.435 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 71.6 m -59.79 -53.47 57.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.124 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.5 mtp85 -52.99 -42.69 65.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.241 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -57.86 -60.93 2.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.78 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.542 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.4 pt-20 -60.89 -37.87 83.71 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.559 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.462 ' CD1' HD13 ' B' ' 173' ' ' LEU . 12.1 t80 -57.86 -39.4 77.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.348 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -72.04 -53.17 13.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.369 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 59.6 mtt85 -45.86 -48.17 15.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.39 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 -50.5 -34.66 26.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.408 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.0 mt -90.16 -60.19 1.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.564 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -47.16 -30.78 3.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.609 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.439 HG12 ' N ' ' A' ' 50' ' ' TYR . 21.4 t -101.5 158.51 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.459 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 50' ' ' TYR . 11.9 p90 -154.83 50.5 0.6 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.546 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.9 p80 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.595 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.523 ' N ' ' O ' ' B' ' 117' ' ' VAL . 31.6 ttp . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -87.1 130.44 34.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.725 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 18.6 pt -132.24 153.28 38.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.461 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -111.34 145.65 38.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.72 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 98.4 t -123.27 109.65 24.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.362 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -82.33 137.25 34.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.645 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' THR . . . . . 0.413 HG23 ' O ' ' B' ' 111' ' ' LYS . 64.4 p -103.25 -156.67 0.57 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.397 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.928 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.4 OUTLIER -83.87 -58.4 2.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.466 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 19.8 p -61.22 0.12 0.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.58 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' B' ' 108' ' ' LEU . . . 95.3 -13.32 66.97 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.413 ' O ' HG23 ' B' ' 107' ' ' THR . 43.1 tttp -53.97 122.04 9.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 110.46 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.1 m -104.64 142.61 34.35 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.473 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.416 HD13 HG21 ' B' ' 113' ' ' ILE . 5.7 mt -122.66 129.81 74.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.522 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 8.8 m -99.4 124.85 44.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.361 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 28.0 mt -130.91 140.68 50.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.906 0.384 . . . . 0.0 110.674 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.46 ' N ' ' CD ' ' B' ' 116' ' ' GLU . 19.3 mp0 -89.9 120.65 31.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.221 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 117' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' B' ' 101' ' ' MET . 4.1 m -142.01 -168.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.836 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.576 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 10.5 mt-10 -144.88 147.59 35.78 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.017 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.06 -9.8 0.05 OUTLIER 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.32 2.014 . . . . 0.0 112.25 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 120' ' ' SER . . . . . 0.495 ' N ' ' O ' ' B' ' 118' ' ' GLU . 2.4 p -104.64 11.74 33.78 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.882 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 121' ' ' ASP . . . . . 0.576 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 1.1 m-20 -86.35 135.37 33.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.326 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 7.9 p -81.95 134.74 35.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 30.9 mm -44.93 -46.57 2.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.258 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -54.06 -36.41 63.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.15 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -65.61 -41.62 92.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.087 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 18.2 t -62.77 -42.75 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.027 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -58.34 -39.04 78.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.094 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.15 97.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.195 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -60.39 -50.3 74.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.286 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 79.2 mt -57.17 -47.09 84.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.372 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.01 -29.74 58.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.309 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -72.61 -40.19 66.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.45 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -71.21 -64.91 0.82 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.215 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -77.91 -116.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.501 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -167.11 10.66 0.06 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.443 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 40.4 mt -80.76 116.28 61.22 Favored Pre-proline 0 C--N 1.33 -0.273 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.2 152.84 63.23 Favored 'Trans proline' 0 C--N 1.315 -1.234 0 C-N-CA 121.446 1.431 . . . . 0.0 111.618 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -47.22 -60.97 0.68 Allowed 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.451 2.101 . . . . 0.0 111.832 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -47.04 -23.28 0.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.603 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -101.03 30.95 3.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.673 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 85.8 mt-30 -134.42 142.03 47.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.605 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.656 ' NH1' HH21 ' A' ' 24' ' ' ARG . 17.1 ttm180 -151.69 114.5 4.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.295 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.7 mt -92.2 132.98 36.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.043 0.449 . . . . 0.0 110.95 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.9 mt -128.98 142.7 43.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.297 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 145' ' ' PHE . . . . . 0.427 ' O ' ' HB3' ' B' ' 146' ' ' ALA . 59.5 t80 -144.8 102.58 3.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.622 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 146' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' B' ' 145' ' ' PHE . . . 66.48 69.12 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.773 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 147' ' ' GLY . . . . . 0.432 ' H ' ' HB3' ' A' ' 31' ' ' CYS . . . 42.35 45.21 5.26 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -149.69 116.84 6.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.594 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 149' ' ' GLN . . . . . 0.519 ' NE2' ' O ' ' B' ' 150' ' ' LEU . 19.0 tm0? -78.76 126.46 30.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.175 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.519 ' O ' ' NE2' ' B' ' 149' ' ' GLN . 10.2 mt -79.13 117.3 20.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 0.0 110.692 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -53.36 156.01 2.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.546 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.18 -13.85 42.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -110.9 36.97 3.94 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -139.42 171.65 13.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.767 0.318 . . . . 0.0 110.37 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 155' ' ' THR . . . . . 0.491 ' N ' ' OD2' ' B' ' 158' ' ' ASP . 7.3 p -107.48 159.59 16.29 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.681 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 156' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' B' ' 159' ' ' TYR . 48.2 mt -52.61 -47.46 66.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.589 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 157' ' ' SER . . . . . 0.474 ' C ' ' H ' ' B' ' 159' ' ' TYR . 22.8 p -45.05 -31.72 1.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 158' ' ' ASP . . . . . 0.491 ' OD2' ' N ' ' B' ' 155' ' ' THR . 11.7 m-20 -66.96 6.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.7 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 159' ' ' TYR . . . . . 0.474 ' H ' ' C ' ' B' ' 157' ' ' SER . 78.4 m-85 -140.64 20.37 2.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.517 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 41.14 40.23 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 84.6 mt -82.73 105.0 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.305 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -81.53 -162.56 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.723 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -80.58 161.62 24.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.648 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 56.0 33.34 21.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.748 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 39.9 m -87.89 127.56 35.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.551 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 8.6 m -91.59 100.48 13.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.524 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.6 mt -82.09 164.01 21.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.455 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 168' ' ' HIS . . . . . 0.638 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.2 OUTLIER -115.72 100.66 8.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.282 179.802 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 66.5 tp -80.66 145.34 31.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.717 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 170' ' ' VAL . . . . . 0.406 HG22 HD13 ' A' ' 36' ' ' LEU . 2.2 t -147.05 138.04 17.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.266 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.646 ' N ' HD12 ' B' ' 171' ' ' LEU . 8.2 mp -82.24 110.1 17.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.503 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 172' ' ' ARG . . . . . 0.59 ' HE ' ' H ' ' B' ' 175' ' ' GLY . 49.5 ttt180 -62.72 112.71 2.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.302 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 173' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 43' ' ' PHE . 10.2 mt -81.54 72.87 8.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.605 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 45.71 94.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.658 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 175' ' ' GLY . . . . . 0.59 ' H ' ' HE ' ' B' ' 172' ' ' ARG . . . -87.26 -158.22 32.25 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.649 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 201' ' ' MET . . . . . 0.534 ' N ' ' O ' ' C' ' 217' ' ' VAL . 33.1 ttp . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -89.97 115.18 27.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.728 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 11.7 pt -110.15 144.6 17.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.422 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -95.13 140.94 29.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.728 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 49.4 t -129.73 110.78 20.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.469 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -93.0 133.22 36.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.611 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 46.6 p -91.67 -163.45 1.04 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.359 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 208' ' ' LEU . . . . . 0.883 HD12 ' N ' ' C' ' 208' ' ' LEU . 1.6 mp -100.94 24.7 8.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.491 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 1.7 p -136.61 -0.82 2.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.533 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 94.36 27.96 11.22 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -103.19 110.84 22.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.324 . . . . 0.0 110.5 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 54.9 m -103.07 105.17 15.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.611 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 213' ' ' ILE . . . . . 0.446 HG22 ' H ' ' C' ' 214' ' ' THR . 0.6 OUTLIER -88.31 -179.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.152 179.794 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 214' ' ' THR . . . . . 0.446 ' H ' HG22 ' C' ' 213' ' ' ILE . 98.0 m -142.18 96.12 2.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.067 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 215' ' ' LEU . . . . . 0.734 HD22 ' N ' ' C' ' 215' ' ' LEU . 2.9 mm? -92.71 128.73 38.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.96 0.409 . . . . 0.0 110.967 -179.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -87.07 121.32 29.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.011 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 217' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' C' ' 201' ' ' MET . 33.7 m -149.64 -165.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 0.0 110.96 -179.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 218' ' ' GLU . . . . . 0.584 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 2.0 mt-10 -141.08 148.76 53.16 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.719 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.02 -27.13 4.03 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.412 2.075 . . . . 0.0 112.471 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.18 13.59 12.88 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 121.009 -0.277 . . . . 0.0 111.024 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 221' ' ' ASP . . . . . 0.584 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 1.2 m-20 -86.14 135.76 33.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.44 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 222' ' ' THR . . . . . 0.407 ' O ' ' N ' ' C' ' 225' ' ' ASN . 7.2 p -83.71 133.57 34.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.721 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 28.5 mm -40.55 -42.47 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.455 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -56.21 -45.12 80.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.407 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 225' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' C' ' 222' ' ' THR . 4.4 m-20 -60.72 -39.97 90.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.07 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 11.9 t -60.86 -44.55 97.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.074 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 227' ' ' LYS . . . . . 0.437 ' O ' ' OE1' ' C' ' 241' ' ' GLN . 74.1 mttt -56.74 -43.4 80.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.117 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -58.54 -44.17 89.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.232 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -58.96 -44.61 91.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.373 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 20.9 mt -61.49 -34.11 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.22 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -65.61 -35.56 81.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.218 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -72.34 -25.61 61.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.559 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 44.8 mmtt -83.6 -65.79 0.97 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.505 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -81.76 -88.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.501 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 159.98 8.64 0.05 OUTLIER Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 236' ' ' ILE . . . . . 0.52 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 49.2 mt -77.05 130.4 75.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -54.61 146.1 55.69 Favored 'Trans proline' 0 C--N 1.315 -1.225 0 C-N-CA 121.673 1.582 . . . . 0.0 111.632 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -51.96 -34.79 57.96 Favored 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 122.134 1.889 . . . . 0.0 111.75 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 239' ' ' ASP . . . . . 0.515 ' OD1' ' NH2' ' C' ' 272' ' ' ARG . 32.2 t70 -67.08 -44.74 79.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.656 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -82.1 39.81 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.686 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 241' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 78.7 mt-30 -134.49 73.7 1.5 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.749 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 242' ' ' ARG . . . . . 0.499 ' NE ' ' OE1' ' C' ' 249' ' ' GLN . 20.5 ttm180 -89.99 119.17 30.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.177 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 15.8 mt -96.93 132.99 42.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.016 0.436 . . . . 0.0 110.895 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.6 mt -128.2 123.07 59.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.11 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 245' ' ' PHE . . . . . 0.534 ' O ' ' HB3' ' C' ' 246' ' ' ALA . 57.5 t80 -114.54 76.52 1.0 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.942 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 246' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' C' ' 245' ' ' PHE . . . 71.78 89.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.685 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 247' ' ' GLY . . . . . 0.503 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 39.41 27.19 0.08 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 248' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' C' ' 246' ' ' ALA . 16.2 mmtm -131.82 97.5 4.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.83 0.348 . . . . 0.0 110.505 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 249' ' ' GLN . . . . . 0.499 ' OE1' ' NE ' ' C' ' 242' ' ' ARG . 9.3 tt0 -73.13 125.95 28.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.27 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 11.4 mt -80.83 131.65 35.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.729 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -79.31 159.93 27.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.439 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.94 -20.61 38.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.743 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -102.47 38.35 3.24 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -139.14 174.18 10.78 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 33.0 p -115.65 164.77 13.85 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.911 0.386 . . . . 0.0 110.812 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 256' ' ' LEU . . . . . 0.448 ' CD1' HG21 ' C' ' 217' ' ' VAL . 79.8 mt -60.59 -39.05 86.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.684 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 257' ' ' SER . . . . . . . . . . . . . 5.0 t -58.15 -44.02 87.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.728 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -47.71 -38.4 15.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.659 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -93.59 23.47 4.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.757 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 30.9 t30 46.64 26.05 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 84.2 mt -73.6 102.9 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.349 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -85.15 -157.04 0.28 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -82.86 161.81 21.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.783 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 50.23 32.52 6.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.547 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 38.7 m -91.89 131.47 37.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.614 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 25.7 m -77.83 147.65 35.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.289 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 9.9 mt -139.23 123.31 17.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.652 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 268' ' ' HIS . . . . . 0.64 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -78.84 105.57 10.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.235 179.816 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 269' ' ' LEU . . . . . 0.489 ' O ' HD11 ' C' ' 208' ' ' LEU . 61.2 tp -83.11 144.53 29.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.889 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 270' ' ' VAL . . . . . 0.508 HG22 HD13 ' D' ' 336' ' ' LEU . 2.1 t -144.36 156.09 15.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.248 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 271' ' ' LEU . . . . . 0.672 ' N ' HD12 ' C' ' 271' ' ' LEU . 7.1 mp -99.1 92.72 5.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.328 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 272' ' ' ARG . . . . . 0.515 ' NH2' ' OD1' ' C' ' 239' ' ' ASP . 29.1 ttp180 -46.19 112.09 0.44 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.637 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 273' ' ' LEU . . . . . 0.455 HD13 ' CD1' ' D' ' 343' ' ' PHE . 33.8 mt -82.39 137.23 34.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.498 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 75.4 mtt85 -66.8 -171.5 0.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.545 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . 161.76 56.98 0.02 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 89.4 m . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.575 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.697 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 11.6 t -155.41 -158.09 0.8 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.904 0.383 . . . . 0.0 110.471 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 311' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -163.79 115.7 1.4 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.592 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 312' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -68.69 -174.02 0.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.594 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -91.38 133.3 35.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.507 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -81.3 92.96 6.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.591 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 11.1 mt -95.2 44.38 1.09 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.544 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 59.8 p -83.23 3.49 30.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.694 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -146.17 72.86 1.31 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.603 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -130.18 167.02 19.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.406 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -114.73 165.55 12.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.732 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 320' ' ' TYR . . . . . 0.406 ' OH ' ' NH1' ' D' ' 324' ' ' ARG . 13.2 t80 -61.46 -48.91 78.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.506 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 321' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' D' ' 325' ' ' ASP . . . -61.9 -43.91 97.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.761 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 322' ' ' GLU . . . . . 0.4 ' O ' ' OG1' ' D' ' 326' ' ' THR . 94.1 mt-10 -57.34 -54.92 41.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.718 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.546 HD21 ' CD ' ' D' ' 342' ' ' GLU . 14.5 mt -57.33 -59.41 5.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.773 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 324' ' ' ARG . . . . . 0.473 ' O ' ' ND2' ' D' ' 328' ' ' ASN . 8.7 tpt180 -55.43 -50.1 70.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.7 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 325' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' D' ' 329' ' ' THR . 19.6 t70 -58.42 -48.54 80.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.73 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 326' ' ' THR . . . . . 0.501 ' O ' ' N ' ' D' ' 330' ' ' SER . 64.7 m -55.4 -42.45 74.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.574 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 82.5 mt -72.41 -35.66 52.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.422 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 328' ' ' ASN . . . . . 0.66 ' N ' HD22 ' D' ' 328' ' ' ASN . 0.8 OUTLIER -81.69 -20.55 39.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.939 -179.688 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.501 ' N ' ' O ' ' D' ' 325' ' ' ASP . 72.7 p -105.63 -51.03 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.848 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 330' ' ' SER . . . . . 0.501 ' N ' ' O ' ' D' ' 326' ' ' THR . 1.0 OUTLIER -72.6 -179.52 3.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.012 0.434 . . . . 0.0 110.939 -179.572 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 331' ' ' CYS . . . . . 0.503 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 9.1 p -149.96 12.65 0.77 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.199 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -73.4 93.73 1.98 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.623 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 333' ' ' ILE . . . . . 0.693 ' HA ' HD12 ' D' ' 336' ' ' LEU . 2.9 mt -38.96 -40.1 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.731 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -57.42 -55.96 28.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.268 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 335' ' ' LEU . . . . . 0.483 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 10.1 mt -60.81 -37.79 83.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.145 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 336' ' ' LEU . . . . . 0.693 HD12 ' HA ' ' D' ' 333' ' ' ILE . 92.5 mt -56.65 -43.27 80.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.167 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -68.29 -49.03 63.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.435 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.98 96.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.458 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 339' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 72.2 m -59.48 -53.34 59.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.225 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 14.0 mtp85 -56.07 -39.18 71.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.366 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -58.93 -52.95 63.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.664 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 342' ' ' GLU . . . . . 0.546 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.6 pt-20 -71.2 -36.41 71.91 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.505 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 343' ' ' PHE . . . . . 0.455 ' CD1' HD13 ' C' ' 273' ' ' LEU . 8.4 t80 -59.31 -35.41 73.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.351 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 344' ' ' HIS . . . . . 0.422 ' O ' ' N ' ' D' ' 347' ' ' LEU . 34.3 m170 -79.38 -52.77 7.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.241 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.08 -42.37 13.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.044 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 9.0 mtp85 -59.29 -32.67 70.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.368 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 347' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' D' ' 344' ' ' HIS . 92.4 mt -80.61 -35.49 33.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.528 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -62.02 -50.22 72.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.627 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 349' ' ' VAL . . . . . 0.502 HG13 ' O ' ' D' ' 349' ' ' VAL . 10.0 p -84.06 125.86 40.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.517 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 350' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -172.95 100.79 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 351' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.564 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.619 HG23 ' O ' ' A' ' 10' ' ' THR . 5.3 t -65.81 93.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 0.0 110.611 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -96.01 113.97 25.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.516 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -128.97 -156.82 0.78 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.431 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -137.36 135.89 37.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.448 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -79.23 92.79 5.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.619 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -102.67 38.35 1.73 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.413 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.8 t -78.15 11.18 2.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.709 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.7 pttt -161.23 81.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 0.0 110.758 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -133.49 163.69 28.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.142 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -105.05 157.75 17.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.609 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 29.3 t80 -59.68 -47.53 85.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.51 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.78 -41.72 98.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.544 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -60.01 -55.67 31.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.519 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.536 HD21 ' CD ' ' A' ' 42' ' ' GLU . 14.8 mt -54.38 -59.66 4.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.324 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.583 ' NH2' ' NH1' ' B' ' 142' ' ' ARG . 9.1 tpt85 -54.55 -52.68 61.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.322 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' THR . 5.9 t70 -52.38 -51.57 58.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.32 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.545 ' O ' ' N ' ' A' ' 30' ' ' SER . 74.6 m -52.1 -45.09 64.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.346 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.5 mt -70.32 -22.76 24.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.413 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.853 ' ND2' HH22 ' B' ' 142' ' ' ARG . 2.1 m-20 -99.29 -2.73 35.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 25' ' ' ASP . 21.4 p -133.59 -4.94 2.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.988 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.545 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.6 t -122.73 145.97 47.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.941 0.4 . . . . 0.0 110.831 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.597 ' SG ' ' CG ' ' B' ' 168' ' ' HIS . 14.5 t -120.66 30.08 7.1 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.351 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.5 94.37 9.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.355 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.438 ' HA ' HD12 ' A' ' 36' ' ' LEU . 2.4 mt -39.79 -41.17 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.863 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -57.22 -59.15 5.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.454 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.84 -46.7 84.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.976 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.45 HD13 ' CG2' ' B' ' 170' ' ' VAL . 93.8 mt -50.73 -42.8 57.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.329 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.48 -48.98 70.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.338 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.51 -46.41 90.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.379 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.9 m -59.81 -53.56 56.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.239 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.2 mtp85 -52.58 -41.43 63.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.311 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -59.73 -62.82 1.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.633 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.536 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.6 pt-20 -59.86 -37.99 80.86 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.694 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.553 ' CD1' HD13 ' B' ' 173' ' ' LEU . 24.2 t80 -54.85 -51.9 64.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.714 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' A' ' 47' ' ' LEU . 11.5 m-70 -64.97 -47.58 77.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.456 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -45.64 -47.48 14.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.079 0.466 . . . . 0.0 109.836 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -55.82 -34.93 65.81 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.424 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 44' ' ' HIS . 6.7 mp -76.85 -28.3 55.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.178 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.9 tttp -72.79 -66.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.628 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.577 HG22 ' N ' ' A' ' 50' ' ' TYR . 10.5 p -88.48 166.16 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.409 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.577 ' N ' HG22 ' A' ' 49' ' ' VAL . 6.9 p90 -151.18 74.48 1.15 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.533 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.617 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.541 ' N ' ' O ' ' B' ' 117' ' ' VAL . 32.0 ttp . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' GLN . . . . . 0.481 ' NE2' HG22 ' B' ' 114' ' ' THR . 4.7 tp60 -111.97 144.44 41.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.439 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 18.5 pt -146.98 145.86 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.716 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -99.67 153.28 19.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.614 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 16.7 t -136.15 107.01 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.37 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -95.25 133.93 38.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.537 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 34.6 p -96.11 -172.84 2.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.44 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.926 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.5 OUTLIER -84.05 23.27 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.396 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 15.4 p -136.54 8.09 3.08 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.527 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.96 7.36 88.01 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -79.36 114.9 18.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.75 0.31 . . . . 0.0 110.504 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 21.7 m -99.64 144.56 28.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.59 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 1.2 mt -133.59 125.59 50.18 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.449 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' THR . . . . . 0.481 HG22 ' NE2' ' B' ' 102' ' ' GLN . 8.3 m -92.53 99.66 12.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.57 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.514 ' N ' HD12 ' B' ' 115' ' ' LEU . 10.8 mp -99.31 145.91 26.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.619 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -102.39 122.47 44.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.169 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 117' ' ' VAL . . . . . 0.541 ' O ' ' N ' ' B' ' 101' ' ' MET . 14.3 m -147.49 -165.87 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.938 0.399 . . . . 0.0 110.828 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -144.29 149.18 43.87 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.027 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -47.25 -15.79 0.3 Allowed 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.579 2.186 . . . . 0.0 112.642 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.4 p -100.25 13.79 33.11 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 121.064 -0.255 . . . . 0.0 111.205 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -86.65 136.43 33.04 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.424 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' THR . . . . . 0.494 ' O ' ' N ' ' B' ' 125' ' ' ASN . 19.7 p -82.71 130.87 35.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.64 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 31.5 mm -40.68 -45.0 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.452 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -55.69 -39.29 70.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.113 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 125' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' B' ' 122' ' ' THR . 31.2 t-20 -63.74 -38.58 91.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.097 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 27.0 t -64.18 -45.59 95.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.119 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 127' ' ' LYS . . . . . 0.662 ' HZ1' ' H ' ' B' ' 143' ' ' LEU . 42.2 mttm -56.45 -38.23 71.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.101 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.76 94.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.255 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -60.09 -45.25 93.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.419 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 66.2 mt -62.5 -46.37 96.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.327 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 131' ' ' GLN . . . . . 0.431 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.5 OUTLIER -55.18 -30.26 59.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.335 179.833 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -78.56 -24.25 45.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.506 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -82.58 -60.4 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.556 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -86.55 -107.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.538 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -171.39 11.91 0.04 OUTLIER Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 27.3 mt -85.79 115.25 60.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.15 154.57 56.63 Favored 'Trans proline' 0 C--N 1.314 -1.242 0 C-N-CA 121.485 1.457 . . . . 0.0 111.63 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -46.71 -64.13 0.27 Allowed 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.454 2.102 . . . . 0.0 111.864 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 139' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' B' ' 139' ' ' ASP . 11.0 t0 -44.57 -21.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.691 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.439 ' N ' ' C ' ' B' ' 138' ' ' PRO . 75.9 mt-30 -104.37 33.71 3.4 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.611 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' B' ' 138' ' ' PRO . 70.7 mt-30 -134.34 158.94 42.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.474 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.853 HH22 ' ND2' ' A' ' 28' ' ' ASN . 20.4 ttt180 -170.26 108.32 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.231 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.662 ' H ' ' HZ1' ' B' ' 127' ' ' LYS . 15.2 mt -89.96 130.77 36.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.116 0.484 . . . . 0.0 111.035 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 144' ' ' ILE . . . . . 0.519 HG22 ' SG ' ' A' ' 31' ' ' CYS . 1.7 mt -125.82 141.93 44.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.149 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 145' ' ' PHE . . . . . 0.488 ' O ' ' HB3' ' B' ' 146' ' ' ALA . 27.1 t80 -149.35 105.2 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.779 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 146' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' B' ' 145' ' ' PHE . . . 69.7 68.97 0.24 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.688 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 39.92 32.36 0.35 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -136.8 118.08 14.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.773 0.321 . . . . 0.0 110.668 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 149' ' ' GLN . . . . . 0.799 ' NE2' ' HE ' ' B' ' 142' ' ' ARG . 31.3 tt0 -79.61 127.89 32.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.07 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 12.9 mt -78.19 114.95 17.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.362 . . . . 0.0 110.768 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -57.51 160.77 3.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.697 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -85.75 -29.56 23.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.709 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -95.13 38.17 3.2 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 14.0 mmt85 -139.48 174.3 10.66 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 28.5 p -111.65 172.4 6.92 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.873 0.368 . . . . 0.0 110.793 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 156' ' ' LEU . . . . . 0.401 ' CD1' HG21 ' B' ' 117' ' ' VAL . 86.5 mt -65.6 -46.84 77.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.609 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 157' ' ' SER . . . . . 0.472 ' C ' ' H ' ' B' ' 159' ' ' TYR . 13.0 p -52.94 -32.25 44.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -68.98 10.94 0.23 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.761 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 159' ' ' TYR . . . . . 0.472 ' H ' ' C ' ' B' ' 157' ' ' SER . 62.0 m-85 -140.67 15.61 2.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.642 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 5.3 m120 53.46 27.49 6.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.702 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 93.0 mt -79.17 96.06 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.43 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -79.95 -157.39 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.652 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 6.7 ptp85 -82.26 160.29 22.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.713 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 55.46 28.37 11.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.645 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 39.6 m -82.67 130.07 35.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.589 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 9.9 m -84.85 114.95 22.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.493 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 11.7 mt -102.34 128.67 48.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.944 0.402 . . . . 0.0 110.699 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 168' ' ' HIS . . . . . 0.79 ' N ' ' CD2' ' B' ' 168' ' ' HIS . 1.1 m170 -86.89 103.44 15.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.129 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 54.9 tp -83.01 136.45 34.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.899 0.38 . . . . 0.0 110.855 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 170' ' ' VAL . . . . . 0.45 ' CG2' HD13 ' A' ' 36' ' ' LEU . 2.3 t -139.93 139.57 37.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.326 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.63 ' N ' HD12 ' B' ' 171' ' ' LEU . 8.4 mp -79.08 109.76 13.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.636 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -60.54 110.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.556 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 173' ' ' LEU . . . . . 0.553 HD13 ' CD1' ' A' ' 43' ' ' PHE . 13.2 mt -87.82 47.14 1.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.502 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 174' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' B' ' 173' ' ' LEU . 94.6 mtt180 56.51 158.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.543 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . -178.06 -128.38 1.16 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 201' ' ' MET . . . . . . . . . . . . . 1.3 ptt? . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -92.84 110.21 21.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.574 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 26.3 pt -102.2 154.56 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.651 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -100.46 149.96 23.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.598 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 68.8 t -136.94 106.84 5.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.263 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -91.48 135.18 34.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.605 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 32.8 p -102.48 175.82 5.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.446 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 208' ' ' LEU . . . . . 0.984 HD22 ' H ' ' C' ' 208' ' ' LEU . 0.0 OUTLIER -46.55 -55.41 7.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.236 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 6.4 p -62.0 -8.24 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.585 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 89.18 13.37 62.05 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -70.29 117.65 12.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 110.541 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 10.3 m -90.08 138.97 31.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.652 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 1.8 mt -132.88 125.18 51.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.5 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 20.5 m -89.69 130.89 35.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.284 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 32.8 mt -130.22 123.35 29.97 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.844 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -80.81 79.54 7.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.273 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 217' ' ' VAL . . . . . . . . . . . . . 15.5 m -104.4 176.43 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.965 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 218' ' ' GLU . . . . . 0.549 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 3.3 mm-40 -120.62 176.6 1.77 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.614 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -75.11 -32.89 4.89 Favored 'Trans proline' 0 C--N 1.311 -1.431 0 C-N-CA 122.376 2.05 . . . . 0.0 112.015 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 2.1 p -80.43 -8.37 59.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.517 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 221' ' ' ASP . . . . . 0.549 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 19.6 m-20 -60.72 133.71 56.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.426 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 18.2 p -86.58 140.87 29.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.732 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 21.7 mm -44.48 -51.91 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.466 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -50.08 -38.65 39.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.279 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 225' ' ' ASN . . . . . 0.501 ' O ' ' HB3' ' C' ' 228' ' ' ALA . 30.3 t-20 -61.93 -48.21 81.46 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 42.8 t -55.18 -46.93 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -53.86 -34.51 59.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.79 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 228' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' C' ' 225' ' ' ASN . . . -64.9 -44.3 90.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.97 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -59.03 -39.78 83.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.076 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 18.2 mt -69.49 -25.4 28.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.103 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -71.6 -33.82 69.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.208 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -76.65 -33.42 58.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.468 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 20.7 mmtm -76.25 -60.9 2.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.456 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -83.85 -90.25 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.513 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 158.54 10.18 0.05 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 236' ' ' ILE . . . . . 0.525 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 30.1 mt -80.33 130.6 64.88 Favored Pre-proline 0 C--N 1.33 -0.263 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -55.38 144.79 70.87 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 121.707 1.605 . . . . 0.0 111.555 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -52.61 -31.66 50.7 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 122.075 1.85 . . . . 0.0 111.775 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 239' ' ' ASP . . . . . 0.462 ' C ' ' H ' ' C' ' 241' ' ' GLN . 16.8 t0 -70.78 -53.79 14.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.664 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -71.76 41.63 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.747 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 241' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 60.5 mt-30 -134.51 162.6 31.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 242' ' ' ARG . . . . . . . . . . . . . 29.5 ttm-85 -170.34 144.59 2.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.164 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 15.3 mt -127.08 138.19 53.16 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.165 0.507 . . . . 0.0 111.066 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 2.1 mt -129.76 121.12 51.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.96 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 245' ' ' PHE . . . . . 0.434 ' CE1' ' OD2' ' A' ' 25' ' ' ASP . 70.4 t80 -108.84 72.04 0.8 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.876 0.37 . . . . 0.0 111.064 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 62.07 87.07 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.004 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 247' ' ' GLY . . . . . 0.715 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 54.92 24.48 34.43 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 23.3 mmtm -129.78 89.71 2.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.69 0.281 . . . . 0.0 110.57 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -71.88 113.6 9.09 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 9.7 mt -76.81 131.14 38.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.944 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -86.78 158.46 19.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.428 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.87 -0.92 29.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.939 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -123.03 40.33 2.03 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 36.9 mmt-85 -139.52 178.31 7.3 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 26.5 p -120.92 157.76 29.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.585 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.47 -12.29 14.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.633 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 257' ' ' SER . . . . . . . . . . . . . 33.0 t -85.04 -40.92 16.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.406 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -49.56 -41.94 42.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.496 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -85.9 -2.47 58.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.604 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 2.0 m120 64.79 38.77 6.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 87.5 mt -81.12 111.34 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.338 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -83.04 -160.7 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -85.68 160.66 19.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.951 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 54.97 26.71 8.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.865 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 1.8 m -83.52 137.8 33.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.39 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 4.3 m -84.48 116.74 23.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.652 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 4.7 mp -108.99 124.53 50.85 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.366 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 268' ' ' HIS . . . . . 0.623 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.1 OUTLIER -84.04 113.28 20.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.344 179.816 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 11.5 tp -84.09 142.15 30.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.873 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 1.9 t -147.0 137.28 17.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.13 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 271' ' ' LEU . . . . . 0.942 ' H ' HD22 ' C' ' 271' ' ' LEU . 0.3 OUTLIER -92.69 109.25 20.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.703 -179.669 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -63.3 113.77 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.555 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 273' ' ' LEU . . . . . 0.523 ' O ' ' NH1' ' D' ' 324' ' ' ARG . 13.4 mt -80.32 126.81 31.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.544 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -97.09 -163.71 1.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.457 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . -160.43 170.6 36.46 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 12.3 m . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.083 -0.96 . . . . 0.0 110.578 -179.957 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.65 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 310' ' ' THR . . . . . 0.407 ' O ' ' C ' ' D' ' 311' ' ' LYS . 51.7 m -155.21 96.47 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.722 0.296 . . . . 0.0 110.476 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 311' ' ' LYS . . . . . 0.446 ' O ' ' O ' ' D' ' 312' ' ' LYS . 76.5 mttt 38.25 79.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.676 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 312' ' ' LYS . . . . . 0.446 ' O ' ' O ' ' D' ' 311' ' ' LYS . 16.4 mmtp 45.08 -173.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.515 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -93.42 130.87 39.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.591 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -79.21 92.79 5.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.511 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 14.0 mt -90.64 40.44 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.617 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 25.0 t -90.75 17.02 8.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.666 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -147.87 43.01 1.06 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.59 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 17.5 m95 -112.13 179.07 4.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.604 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -132.42 168.37 18.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.503 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 320' ' ' TYR . . . . . 0.424 ' CD1' ' C ' ' D' ' 320' ' ' TYR . 15.2 t80 -59.17 -47.3 85.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.576 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -58.31 -52.03 67.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.834 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -56.33 -56.26 23.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.851 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.551 HD21 ' CD ' ' D' ' 342' ' ' GLU . 14.0 mt -56.79 -56.13 25.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.7 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 324' ' ' ARG . . . . . 0.523 ' NH1' ' O ' ' C' ' 273' ' ' LEU . 6.1 tpt180 -53.04 -46.24 68.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.566 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 325' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' D' ' 329' ' ' THR . 15.7 m-20 -62.6 -48.11 80.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.483 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 326' ' ' THR . . . . . 0.512 ' O ' ' N ' ' D' ' 330' ' ' SER . 6.5 m -53.07 -45.84 68.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.756 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 91.3 mt -75.57 -24.78 17.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 328' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -95.9 -0.79 50.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.06 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.467 ' N ' ' O ' ' D' ' 325' ' ' ASP . 57.8 p -136.72 -41.79 0.61 Allowed 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 121.048 -0.261 . . . . 0.0 111.349 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 330' ' ' SER . . . . . 0.512 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.5 OUTLIER -76.32 168.58 19.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.177 0.513 . . . . 0.0 111.408 -179.2 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 331' ' ' CYS . . . . . 0.715 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 27.8 p -146.77 88.44 1.76 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.431 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -161.61 100.92 1.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.377 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 333' ' ' ILE . . . . . 0.402 HD13 HG21 ' D' ' 333' ' ' ILE . 1.9 mt -38.8 -43.63 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.817 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -55.78 -58.97 5.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.442 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 335' ' ' LEU . . . . . 0.484 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 9.7 mt -60.5 -52.65 64.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.158 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 28.3 mt -50.59 -46.65 58.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.536 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.35 78.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.467 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.22 -42.23 96.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.341 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 339' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 69.8 m -58.34 -50.74 72.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.289 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 340' ' ' ARG . . . . . 0.518 ' HE ' HD21 ' C' ' 273' ' ' LEU . 19.0 mtp-105 -61.8 -38.87 89.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.526 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -56.65 -57.41 12.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.684 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 342' ' ' GLU . . . . . 0.551 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.7 pt-20 -63.42 -33.08 74.78 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.618 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -63.21 -40.01 96.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.246 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 344' ' ' HIS . . . . . 0.405 ' CE1' ' NH2' ' D' ' 340' ' ' ARG . 13.4 m170 -70.78 -50.33 36.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.199 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 345' ' ' ARG . . . . . 0.434 ' O ' HG12 ' D' ' 349' ' ' VAL . 79.8 mtm180 -51.09 -47.65 61.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.429 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 69.1 mtt-85 -54.15 -39.96 67.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 15.3 mt -67.69 -58.88 3.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.602 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -44.98 -46.81 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.581 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 349' ' ' VAL . . . . . 0.496 HG13 ' O ' ' D' ' 349' ' ' VAL . 9.7 p -86.24 127.55 40.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.558 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 350' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -172.63 43.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.571 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 351' ' ' HIS . . . . . . . . . . . . . 17.8 p80 . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.561 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.631 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.95 119.09 3.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 110.566 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -97.59 -166.54 1.4 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.475 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt -86.44 177.46 7.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.555 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -91.36 133.66 35.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.547 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -79.75 92.71 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.413 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.3 mt -107.6 45.28 1.01 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.529 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.0 t -84.6 3.51 36.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.62 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -147.46 71.49 1.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.67 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -129.12 165.47 21.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.412 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.87 169.21 9.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.586 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.522 ' OH ' ' NH1' ' A' ' 24' ' ' ARG . 37.5 t80 -65.65 -47.09 76.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.487 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.86 -35.92 79.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.739 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -68.01 -54.96 14.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.697 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.591 HD21 ' CD ' ' A' ' 42' ' ' GLU . 16.2 mt -56.25 -58.39 8.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.613 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.522 ' NH1' ' OH ' ' A' ' 20' ' ' TYR . 6.8 tpt180 -53.22 -53.37 51.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.486 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.472 ' OD1' ' CZ ' ' C' ' 245' ' ' PHE . 46.4 t0 -53.41 -50.77 64.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.47 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.573 ' O ' ' N ' ' A' ' 30' ' ' SER . 86.8 m -52.14 -50.1 62.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.594 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.422 HG23 HD22 ' A' ' 36' ' ' LEU . 96.5 mt -66.75 -23.89 31.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.605 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.51 ' OD1' ' NH1' ' B' ' 142' ' ' ARG . 1.9 m-80 -95.15 -6.53 41.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.062 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 19.6 p -130.12 -5.96 4.4 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.189 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.573 ' N ' ' O ' ' A' ' 26' ' ' THR . 6.3 t -111.3 156.92 20.8 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.002 0.43 . . . . 0.0 111.06 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.42 ' SG ' ' C ' ' B' ' 147' ' ' GLY . 36.5 m -132.67 33.89 3.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.392 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -103.83 100.56 10.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.669 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.406 HG21 HD13 ' A' ' 33' ' ' ILE . 6.4 mt -43.7 -35.53 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.55 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -61.52 -58.99 5.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.279 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.488 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 11.4 mt -56.77 -44.32 81.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.928 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.422 HD22 HG23 ' A' ' 27' ' ' ILE . 96.2 mt -54.46 -42.67 70.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.469 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.27 -49.11 70.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.567 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.49 92.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.43 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.488 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 78.3 m -57.19 -53.61 56.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.219 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.504 HH21 HD22 ' B' ' 171' ' ' LEU . 16.1 mtp-105 -54.56 -45.45 73.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.316 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -53.22 -62.69 1.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.745 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.591 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.8 pt-20 -61.07 -42.05 97.78 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.506 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.533 ' CG ' HD13 ' B' ' 173' ' ' LEU . 16.4 t80 -52.57 -43.0 64.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.915 0.388 . . . . 0.0 110.145 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -68.84 -45.25 71.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.313 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 49' ' ' VAL . 29.2 mtt85 -49.52 -52.74 27.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.369 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' A' ' 50' ' ' TYR . 1.8 mpt_? -45.94 -34.11 3.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.241 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.1 mt -85.88 -60.29 2.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.474 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -46.61 -46.14 19.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.59 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.531 HG22 ' N ' ' A' ' 50' ' ' TYR . 7.6 p -144.09 160.06 15.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.614 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.531 ' N ' HG22 ' A' ' 49' ' ' VAL . 47.7 t80 55.45 107.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.564 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.465 ' OXT' ' ND1' ' A' ' 51' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.595 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -96.36 120.0 35.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.65 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 17.5 pt -109.33 147.54 13.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.641 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -99.71 141.75 32.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.647 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 94.7 t -127.49 113.73 33.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.412 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -92.74 136.83 32.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.769 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 38.1 p -90.83 -150.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.374 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.907 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.4 OUTLIER -87.2 -52.91 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.495 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 109' ' ' THR . . . . . 0.42 HG23 ' H ' ' B' ' 109' ' ' THR . 19.3 p -56.26 -47.56 78.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.507 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 142.66 5.69 0.77 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -72.29 133.94 45.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.678 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.9 m -108.36 145.78 33.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.464 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 3.8 mt -130.65 128.6 63.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.642 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 21.9 m -97.55 115.18 27.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.301 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 33.1 mt -121.29 134.93 55.17 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.873 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -80.81 127.44 32.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.142 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 15.7 m -147.7 179.77 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.371 . . . . 0.0 110.918 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.532 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 36.0 mt-10 -135.97 148.85 66.61 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.211 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -48.56 -7.01 0.05 OUTLIER 'Trans proline' 0 C--N 1.31 -1.476 0 C-N-CA 122.626 2.218 . . . . 0.0 112.521 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 120' ' ' SER . . . . . 0.489 ' H ' ' C ' ' B' ' 118' ' ' GLU . 2.6 p -102.48 -19.49 14.89 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.992 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 121' ' ' ASP . . . . . 0.532 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 9.2 m-20 -53.58 138.48 34.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.981 0.419 . . . . 0.0 110.74 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 122' ' ' THR . . . . . 0.446 ' O ' ' N ' ' B' ' 125' ' ' ASN . 17.8 p -90.4 134.02 34.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.538 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 27.3 mm -40.96 -45.34 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.549 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -55.46 -41.95 73.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.232 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 125' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' B' ' 122' ' ' THR . 6.9 t-20 -61.37 -37.49 83.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.159 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 27.2 t -64.56 -52.44 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.99 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -49.75 -38.62 34.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.085 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.29 -45.25 88.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.218 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -55.92 -41.19 74.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.141 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 6.1 mt -66.75 -37.53 79.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.245 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -62.01 -25.31 67.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.344 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -84.52 -31.72 24.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.687 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -78.76 -65.39 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.628 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -80.47 -105.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.671 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -176.52 16.44 0.04 OUTLIER Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.517 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 23.5 mt -93.49 112.0 54.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -63.46 154.56 67.8 Favored 'Trans proline' 0 C--N 1.313 -1.293 0 C-N-CA 121.59 1.527 . . . . 0.0 111.794 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.53 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -46.84 -66.05 0.16 Allowed 'Trans proline' 0 C--N 1.31 -1.499 0 C-N-CA 122.593 2.195 . . . . 0.0 112.016 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -42.55 -20.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.696 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' B' ' 138' ' ' PRO . 67.2 mt-30 -110.88 35.33 3.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.542 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' B' ' 138' ' ' PRO . 54.2 mt-30 -134.34 168.03 19.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.501 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.695 HH21 ' NE2' ' B' ' 149' ' ' GLN . 16.2 ttt85 -170.21 130.18 0.93 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.179 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 16.3 mt -112.39 133.54 54.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.046 0.451 . . . . 0.0 110.954 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.6 mt -127.16 134.18 66.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.238 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 145' ' ' PHE . . . . . 0.495 ' O ' ' HB3' ' B' ' 146' ' ' ALA . 86.1 t80 -158.52 144.96 17.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.503 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 146' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' B' ' 145' ' ' PHE . . . 69.6 19.31 7.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 147' ' ' GLY . . . . . 0.42 ' C ' ' SG ' ' A' ' 31' ' ' CYS . . . 76.66 21.41 74.8 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -145.13 152.09 39.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.748 0.309 . . . . 0.0 110.753 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 149' ' ' GLN . . . . . 0.695 ' NE2' HH21 ' B' ' 142' ' ' ARG . 23.3 tt0 -80.07 142.74 34.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.328 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 15.8 mt -91.42 141.69 28.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.831 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -79.1 160.9 26.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.44 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.85 -24.39 26.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -102.91 41.74 2.06 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -139.72 168.71 19.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.732 0.301 . . . . 0.0 110.355 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 6.2 p -108.79 161.84 14.74 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.723 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 57.0 mt -59.32 -31.84 69.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 157' ' ' SER . . . . . 0.488 ' C ' ' H ' ' B' ' 159' ' ' TYR . 6.9 t -65.76 -32.23 73.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.991 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -70.62 14.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.858 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 159' ' ' TYR . . . . . 0.488 ' H ' ' C ' ' B' ' 157' ' ' SER . 60.6 m-85 -140.65 7.66 2.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.603 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 59.61 27.35 16.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.566 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 95.8 mt -77.23 107.49 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.509 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -86.45 -169.71 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.616 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -73.44 160.36 31.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.804 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 56.66 29.24 15.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.696 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 33.0 m -81.9 129.22 34.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.432 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 3.9 m -91.99 106.58 18.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.68 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 2.1 mp -98.31 153.43 18.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.627 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 168' ' ' HIS . . . . . 0.653 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -98.77 123.59 43.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.054 179.778 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 21.3 tp -101.48 118.51 37.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.442 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 170' ' ' VAL . . . . . 0.413 ' CG2' HD13 ' A' ' 36' ' ' LEU . 1.7 t -123.92 141.0 45.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.33 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.635 ' N ' HD12 ' B' ' 171' ' ' LEU . 8.3 mp -82.31 113.8 20.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.637 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -62.96 102.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.53 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 173' ' ' LEU . . . . . 0.533 HD13 ' CG ' ' A' ' 43' ' ' PHE . 18.3 mt -76.62 174.65 10.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.451 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 31.0 mtm180 -152.78 138.91 18.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.525 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . -165.67 9.75 0.07 OUTLIER Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.942 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 201' ' ' MET . . . . . 0.527 ' N ' ' O ' ' C' ' 217' ' ' VAL . 28.9 ttp . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 202' ' ' GLN . . . . . 0.411 ' N ' ' CG ' ' C' ' 201' ' ' MET . 62.7 mt-30 -129.96 129.91 44.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.458 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 6.4 pt -136.12 151.19 28.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.76 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -98.09 153.89 18.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.369 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 77.5 t -137.41 102.47 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.233 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 206' ' ' LYS . . . . . 0.502 ' NZ ' ' OG1' ' C' ' 212' ' ' THR . 16.6 mttp -86.07 135.27 33.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.551 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 40.6 p -101.54 -172.05 2.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.329 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 208' ' ' LEU . . . . . 0.828 ' N ' HD22 ' C' ' 208' ' ' LEU . 2.1 mm? -75.4 -28.72 59.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.256 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 9.8 p -82.11 4.08 24.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.53 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 78.66 28.01 55.85 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -93.53 115.71 28.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.74 0.305 . . . . 0.0 110.651 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 212' ' ' THR . . . . . 0.502 ' OG1' ' NZ ' ' C' ' 206' ' ' LYS . 17.1 m -95.61 107.83 20.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.461 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 1.4 mt -99.65 125.17 53.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.67 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 4.1 m -93.38 107.14 19.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.088 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 19.6 mt -110.61 143.76 40.53 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.959 0.409 . . . . 0.0 111.093 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 216' ' ' GLU . . . . . 0.457 ' N ' ' CD ' ' C' ' 216' ' ' GLU . 5.3 mp0 -96.71 126.75 42.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.173 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 217' ' ' VAL . . . . . 0.527 ' O ' ' N ' ' C' ' 201' ' ' MET . 16.5 m -147.61 -166.71 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.73 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 218' ' ' GLU . . . . . 0.521 ' OE2' ' N ' ' C' ' 201' ' ' MET . 36.5 mm-40 -143.9 148.95 44.36 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.064 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -47.83 -34.89 22.96 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.451 2.101 . . . . 0.0 112.434 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.05 13.92 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.232 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 221' ' ' ASP . . . . . 0.482 ' OD2' ' N ' ' C' ' 218' ' ' GLU . 34.7 m-20 -89.9 135.75 33.45 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.91 0.385 . . . . 0.0 110.324 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 4.2 p -83.2 138.84 33.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.999 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 29.9 mm -46.59 -38.7 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.282 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -58.68 -44.55 90.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.372 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 225' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -61.23 -37.16 82.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.057 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 47.6 t -63.91 -53.81 39.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.138 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 29.3 mttp -49.29 -40.99 36.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.181 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -61.39 -44.86 96.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.298 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -57.04 -43.15 81.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.31 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 5.0 mt -61.85 -51.25 74.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.198 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -51.23 -30.89 18.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.225 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 232' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' C' ' 232' ' ' ASP . 61.7 t0 -75.66 -27.02 58.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.57 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt -82.14 -64.08 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.498 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -86.97 -109.28 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.506 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -169.12 12.29 0.05 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 236' ' ' ILE . . . . . 0.509 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 43.2 mt -81.3 114.92 53.05 Favored Pre-proline 0 C--N 1.329 -0.3 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -64.42 150.06 88.94 Favored 'Trans proline' 0 C--N 1.314 -1.271 0 C-N-CA 121.508 1.472 . . . . 0.0 111.573 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 238' ' ' PRO . . . . . 0.477 ' O ' ' N ' ' C' ' 240' ' ' GLN . 2.7 Cg_endo -48.35 -65.89 0.15 Allowed 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.395 2.063 . . . . 0.0 111.937 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.23 -21.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 240' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' C' ' 238' ' ' PRO . 40.8 mt-30 -105.52 37.01 2.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.738 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 241' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 76.9 mt-30 -134.54 154.13 51.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.054 0.454 . . . . 0.0 110.693 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 242' ' ' ARG . . . . . 0.67 HH22 HH21 ' D' ' 324' ' ' ARG . 11.5 mtt180 -155.1 103.6 2.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.808 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 243' ' ' LEU . . . . . 0.47 HD22 HD23 ' C' ' 267' ' ' LEU . 54.6 mt -84.65 126.14 33.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.6 mt -131.12 117.02 35.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.288 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 245' ' ' PHE . . . . . 0.542 ' O ' ' HB3' ' C' ' 246' ' ' ALA . 52.0 t80 -109.62 77.83 1.09 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.68 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 246' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' C' ' 245' ' ' PHE . . . 72.09 89.59 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.769 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 247' ' ' GLY . . . . . 0.492 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 38.47 31.0 0.1 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 248' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' C' ' 246' ' ' ALA . 26.3 mmtm -133.74 100.92 4.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.785 0.326 . . . . 0.0 110.633 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 249' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' C' ' 250' ' ' LEU . 19.6 tm0? -76.22 125.01 28.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.114 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 250' ' ' LEU . . . . . 0.524 ' O ' ' NE2' ' C' ' 249' ' ' GLN . 8.8 mt -86.55 127.41 34.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.773 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -73.52 160.51 31.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.621 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.12 -18.12 47.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.78 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -105.22 38.93 3.04 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.331 -0.707 . . . . 0.0 111.331 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 28.2 mmt-85 -139.64 172.01 13.41 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 255' ' ' THR . . . . . 0.41 ' OG1' ' OD1' ' C' ' 258' ' ' ASP . 27.7 p -114.7 158.52 21.68 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.678 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 60.8 mt -57.06 -28.67 62.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.672 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 257' ' ' SER . . . . . . . . . . . . . 25.8 p -66.74 -41.34 88.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.733 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 258' ' ' ASP . . . . . 0.41 ' OD1' ' OG1' ' C' ' 255' ' ' THR . 1.0 OUTLIER -52.37 -29.36 23.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.663 -179.843 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -100.42 16.92 22.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.683 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 44.74 41.5 5.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 88.6 mt -84.31 109.44 17.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.383 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -85.24 -157.82 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.797 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -85.6 160.06 19.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 59.73 30.22 19.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.751 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 8.9 m -87.22 132.83 33.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.39 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 5.6 m -86.36 105.58 16.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.636 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 267' ' ' LEU . . . . . 0.47 HD23 HD22 ' C' ' 243' ' ' LEU . 5.5 mp -94.05 121.18 35.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.393 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 268' ' ' HIS . . . . . 0.638 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -83.83 105.9 15.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.476 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 44.9 tp -86.26 133.48 33.82 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.612 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 270' ' ' VAL . . . . . 0.459 HG22 HD13 ' D' ' 336' ' ' LEU . 3.1 t -129.27 163.94 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.58 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 271' ' ' LEU . . . . . 0.755 ' N ' HD12 ' C' ' 271' ' ' LEU . 6.2 mp -97.05 114.8 26.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.528 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -82.88 118.0 23.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.372 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 273' ' ' LEU . . . . . 0.656 ' HG ' HH12 ' D' ' 340' ' ' ARG . 1.2 mt -91.04 154.31 19.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.553 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 274' ' ' ARG . . . . . 0.439 ' CZ ' ' CB ' ' C' ' 274' ' ' ARG . 8.9 mtp-105 -60.41 -138.32 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.467 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . -161.74 -155.86 8.11 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 276' ' ' CYS . . . . . 0.443 ' O ' ' SG ' ' C' ' 276' ' ' CYS . 19.4 p . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.602 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.612 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 12.6 t -157.43 -157.72 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.909 0.385 . . . . 0.0 110.508 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 311' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' D' ' 312' ' ' LYS . 34.6 ttpt -156.69 56.56 0.55 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.405 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 312' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' D' ' 311' ' ' LYS . 7.5 mmtp 48.43 179.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.498 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -96.58 106.05 18.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.579 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -84.77 92.76 8.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.506 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 315' ' ' LEU . . . . . 0.419 HD13 ' OE1' ' D' ' 342' ' ' GLU . 14.8 mt -105.35 45.98 0.94 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.469 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 8.6 t -79.7 -13.01 59.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -146.81 88.48 1.75 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.838 0.351 . . . . 0.0 110.798 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -131.62 168.23 18.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.308 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -110.75 165.92 11.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.729 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 320' ' ' TYR . . . . . 0.479 ' C ' ' CD1' ' D' ' 320' ' ' TYR . 14.3 t80 -63.16 -48.73 77.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.591 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.22 94.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.778 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.67 -53.79 53.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.766 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.577 HD21 ' CD ' ' D' ' 342' ' ' GLU . 15.0 mt -59.25 -52.66 64.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.566 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 324' ' ' ARG . . . . . 0.67 HH21 HH22 ' C' ' 242' ' ' ARG . 6.3 tpt180 -59.16 -52.13 67.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.672 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 325' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' D' ' 329' ' ' THR . 14.1 t70 -60.17 -47.13 87.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.729 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 326' ' ' THR . . . . . 0.468 ' O ' ' CB ' ' D' ' 330' ' ' SER . 64.5 m -56.07 -41.83 75.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.666 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 327' ' ' ILE . . . . . 0.568 ' CD1' ' NH2' ' D' ' 340' ' ' ARG . 87.3 mt -73.74 -35.51 43.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.595 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 328' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -81.09 -22.29 39.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.964 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.476 ' N ' ' O ' ' D' ' 325' ' ' ASP . 72.8 p -103.03 -46.98 4.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.843 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 330' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' D' ' 326' ' ' THR . 0.9 OUTLIER -79.74 167.57 20.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.067 0.461 . . . . 0.0 110.861 -179.631 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 331' ' ' CYS . . . . . 0.492 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 6.5 p -138.24 15.27 2.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.051 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 332' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' D' ' 333' ' ' ILE . 20.3 m-20 -74.02 90.96 2.01 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.588 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 333' ' ' ILE . . . . . 0.697 ' HA ' HD12 ' D' ' 336' ' ' LEU . 3.3 mt -38.44 -40.41 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.778 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -56.38 -58.98 5.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.129 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 335' ' ' LEU . . . . . 0.451 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 9.0 mt -57.06 -46.3 82.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.824 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 336' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' D' ' 333' ' ' ILE . 66.3 mt -50.71 -48.54 58.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.139 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -59.72 -49.5 77.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.09 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -60.44 -41.22 93.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.101 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 339' ' ' CYS . . . . . 0.451 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 63.8 m -62.99 -54.07 44.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.2 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 340' ' ' ARG . . . . . 0.656 HH12 ' HG ' ' C' ' 273' ' ' LEU . 0.0 OUTLIER -51.68 -40.21 59.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.355 -0.384 . . . . 0.0 109.966 179.584 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -61.33 -55.13 35.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 342' ' ' GLU . . . . . 0.577 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.1 pt-20 -66.86 -37.04 83.68 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.898 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.08 -48.29 80.85 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.409 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -63.85 -54.46 34.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.209 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -45.91 -56.51 5.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.397 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 68.9 mtt-85 -46.62 -45.23 18.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.614 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -70.1 -53.72 16.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -50.98 -51.94 47.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.53 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 349' ' ' VAL . . . . . 0.516 HG22 ' N ' ' D' ' 350' ' ' TYR . 7.1 p -148.55 159.39 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.598 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 350' ' ' TYR . . . . . 0.516 ' N ' HG22 ' D' ' 349' ' ' VAL . 41.7 t80 54.74 86.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.612 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 351' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.932 -1.033 . . . . 0.0 110.523 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.613 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.1 t -171.83 141.23 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 110.5 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -163.83 139.82 6.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.596 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -77.19 -177.65 4.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.51 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -94.39 122.14 36.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.605 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -78.61 92.94 4.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.442 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.7 mt -93.18 44.59 1.15 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.575 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.0 t -84.81 -10.5 57.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.819 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -147.46 84.01 1.55 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.739 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -129.93 164.21 24.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.287 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -105.36 165.15 11.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.561 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -66.0 -48.79 70.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.519 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.61 -33.68 74.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.714 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -68.34 -55.61 11.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.681 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.53 HD21 ' CD ' ' A' ' 42' ' ' GLU . 14.3 mt -55.29 -56.94 14.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.446 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -53.34 51.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.392 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.533 ' OD2' ' CZ ' ' C' ' 245' ' ' PHE . 1.5 t70 -53.65 -50.96 64.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.393 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.58 ' O ' ' N ' ' A' ' 30' ' ' SER . 19.7 m -50.87 -51.62 49.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.758 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 53.2 mt -65.04 -27.15 41.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.801 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.526 ' CG ' HH21 ' B' ' 142' ' ' ARG . 1.3 m-80 -98.22 -0.26 44.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.121 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.519 ' N ' ' O ' ' A' ' 25' ' ' ASP . 73.1 p -133.18 -6.24 3.02 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.141 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.58 ' N ' ' O ' ' A' ' 26' ' ' THR . 7.6 t -109.53 169.69 8.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.007 0.432 . . . . 0.0 111.153 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 85.8 m -144.28 39.36 1.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.401 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -115.79 104.4 11.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.733 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.445 ' HA ' HD12 ' A' ' 36' ' ' LEU . 5.6 mt -43.16 -36.04 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.449 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -62.0 -53.85 49.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.113 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.486 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 10.1 mt -64.34 -43.22 95.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.036 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 33' ' ' ILE . 17.0 mt -59.94 -47.21 86.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.163 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.99 -49.07 73.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.476 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.408 ' O ' ' HG2' ' A' ' 41' ' ' GLU . . . -61.5 -52.41 64.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.372 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 98.3 m -51.8 -43.97 63.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.386 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.4 mtp-105 -68.59 -33.12 73.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.446 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.445 ' CG ' ' N ' ' A' ' 42' ' ' GLU . 2.6 pt-20 -66.48 -45.43 79.68 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.615 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.53 ' CD ' HD21 ' A' ' 23' ' ' LEU . 4.0 pt-20 -71.81 -35.9 70.1 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.299 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -61.49 -44.69 96.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.926 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -66.73 -54.02 27.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.191 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -45.91 -55.82 6.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.387 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.7 mtp85 -45.96 -38.21 7.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.637 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.5 mt -77.87 -35.5 50.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.495 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -71.78 -60.44 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.541 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.489 ' O ' HG13 ' A' ' 49' ' ' VAL . 11.4 p -45.21 127.43 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.621 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.515 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 32.2 t80 -155.38 72.07 0.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.495 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.515 ' CG ' ' O ' ' A' ' 50' ' ' TYR . 84.9 m-70 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.6 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 13.4 ttp . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -82.13 134.54 35.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.536 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 12.5 pt -134.9 142.99 38.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.749 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -95.55 140.09 30.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.594 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 18.0 t -122.81 106.8 18.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.268 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 7.8 tptp -81.15 134.68 35.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.561 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 23.9 p -101.35 -167.51 1.43 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.459 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.926 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.6 OUTLIER -82.7 -34.55 27.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.443 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 36.2 p -77.99 5.03 10.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.612 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 83.23 2.96 90.4 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -79.41 124.93 28.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.554 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 8.4 m -97.34 152.65 18.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.56 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 2.1 mt -136.83 126.87 39.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.536 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 5.3 m -94.45 124.59 38.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.297 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 31.1 mt -131.17 134.97 47.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.827 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -85.79 131.92 34.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.236 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 34.9 m -150.98 -164.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.923 0.392 . . . . 0.0 110.822 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.507 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 6.1 mt-10 -144.62 146.74 33.33 Favored Pre-proline 0 CA--C 1.531 0.237 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.107 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -48.11 -10.24 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.447 2.098 . . . . 0.0 112.366 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 120' ' ' SER . . . . . 0.452 ' N ' ' O ' ' B' ' 118' ' ' GLU . 1.9 p -97.17 -22.96 16.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.719 0.295 . . . . 0.0 110.834 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 121' ' ' ASP . . . . . 0.507 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 1.3 m-20 -48.86 138.08 11.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.931 0.396 . . . . 0.0 110.711 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 122' ' ' THR . . . . . 0.479 ' O ' ' N ' ' B' ' 125' ' ' ASN . 18.4 p -89.89 135.9 33.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.631 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 27.8 mm -41.44 -44.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.484 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -57.42 -38.4 74.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.228 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 125' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' B' ' 122' ' ' THR . 28.0 t-20 -64.17 -40.15 95.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.156 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 74.9 t -63.13 -50.61 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.978 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 127' ' ' LYS . . . . . 0.444 ' NZ ' ' C ' ' B' ' 141' ' ' GLN . 46.3 mttm -51.38 -41.19 60.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.189 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.38 -43.2 99.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.274 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -59.09 -39.93 83.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.244 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 8.3 mt -67.25 -32.34 57.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.174 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -67.32 -31.4 71.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.338 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 132' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' B' ' 132' ' ' ASP . 3.5 m-20 -78.92 -26.29 43.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.755 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -83.77 -64.26 1.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.667 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -83.26 -107.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.635 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -174.3 22.86 0.06 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.761 -0.935 . . . . 0.0 110.761 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.522 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 24.1 mt -101.25 107.98 52.92 Favored Pre-proline 0 C--N 1.33 -0.282 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -62.94 152.76 77.51 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 121.674 1.583 . . . . 0.0 111.853 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.509 ' C ' ' H ' ' B' ' 140' ' ' GLN . 2.8 Cg_endo -46.93 -57.57 2.22 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.571 2.181 . . . . 0.0 111.851 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -51.17 -8.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.506 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.509 ' H ' ' C ' ' B' ' 138' ' ' PRO . 54.8 mt-30 -123.9 32.28 5.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.494 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 59.4 mt-30 -129.86 168.6 16.35 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.376 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.526 HH21 ' CG ' ' A' ' 28' ' ' ASN . 36.6 ttt85 -170.35 109.01 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.35 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 14.2 mt -93.99 132.01 38.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.771 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.6 mt -123.46 141.28 44.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.292 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 145' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' B' ' 148' ' ' LYS . 36.7 t80 -155.53 159.93 40.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.616 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 43.26 27.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 68.33 35.38 82.24 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 148' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' B' ' 145' ' ' PHE . 80.6 mttt -148.09 139.7 23.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.782 0.325 . . . . 0.0 110.685 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 149' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' B' ' 150' ' ' LEU . 10.5 tm0? -75.97 127.51 33.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.168 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.526 ' O ' ' NE2' ' B' ' 149' ' ' GLN . 15.0 mt -81.26 133.83 35.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 0.0 110.907 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -78.36 163.4 25.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.69 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.01 -28.5 32.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.975 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -95.34 43.27 2.24 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -139.67 173.59 11.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.686 0.279 . . . . 0.0 110.335 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 29.8 p -118.14 162.04 18.87 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.719 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.21 -15.68 48.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.684 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 2.8 t -81.03 -42.39 21.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.726 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -48.89 -42.38 36.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.705 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -87.12 0.88 54.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.6 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 160' ' ' ASN . . . . . 0.516 ' O ' ' NE2' ' B' ' 162' ' ' GLN . 21.8 m-20 60.81 41.72 14.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.677 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 76.7 mt -82.72 101.84 7.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.395 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 162' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' B' ' 160' ' ' ASN . 4.4 mp0 -78.67 -172.0 2.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.667 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -72.03 161.42 30.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.793 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 57.51 33.9 23.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.969 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 65.4 m -90.49 136.27 33.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.489 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 9.1 m -93.47 103.63 15.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.605 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 11.2 mt -91.82 126.49 36.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.471 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 168' ' ' HIS . . . . . 0.665 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -81.89 112.34 18.91 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.553 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 169' ' ' LEU . . . . . 0.799 ' C ' HD13 ' B' ' 169' ' ' LEU . 2.6 tm? -88.7 132.32 34.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.019 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 170' ' ' VAL . . . . . 0.693 ' N ' HD13 ' B' ' 169' ' ' LEU . 2.1 t -143.78 138.16 25.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.713 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.6 ' N ' HD12 ' B' ' 171' ' ' LEU . 7.8 mp -77.24 158.52 30.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.531 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -109.56 70.94 0.75 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.262 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 13.9 mt -40.36 104.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.748 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 174' ' ' ARG . . . . . 0.473 ' CZ ' ' CB ' ' B' ' 174' ' ' ARG . 11.6 ttm105 -58.9 152.87 18.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 175' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' B' ' 176' ' ' GLY . . . -151.15 -47.35 0.02 OUTLIER Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 176' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' B' ' 175' ' ' GLY . . . . . . . . 0 CA--C 1.526 0.722 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 201' ' ' MET . . . . . 0.54 ' N ' ' O ' ' C' ' 217' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 202' ' ' GLN . . . . . 0.417 ' O ' ' OE1' ' C' ' 264' ' ' GLU . 86.6 mt-30 -118.09 112.41 20.17 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.436 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 11.8 pt -100.54 161.26 3.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.825 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -105.05 154.95 19.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.13 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 65.4 t -139.8 108.45 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.219 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 50.3 mttm -97.33 133.17 42.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.985 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 30.3 p -93.96 -148.51 0.26 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.362 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 208' ' ' LEU . . . . . 0.932 HD22 ' H ' ' C' ' 208' ' ' LEU . 0.5 OUTLIER -83.46 -47.62 11.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.313 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 5.9 p -74.03 20.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.511 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 210' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' C' ' 208' ' ' LEU . . . 65.47 22.15 69.29 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -76.97 109.83 11.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.725 0.298 . . . . 0.0 110.594 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 9.3 m -90.73 145.53 24.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.649 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 213' ' ' ILE . . . . . 0.404 HG21 HD13 ' C' ' 213' ' ' ILE . 2.7 mt -137.58 128.06 37.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.661 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 5.4 m -91.41 117.39 29.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.08 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 23.9 mt -119.36 131.09 55.64 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.893 0.378 . . . . 0.0 111.098 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -84.13 115.63 22.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.913 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 217' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' C' ' 201' ' ' MET . 4.6 m -145.76 177.59 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.854 0.359 . . . . 0.0 111.165 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 218' ' ' GLU . . . . . 0.591 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 62.8 mt-10 -131.26 152.76 81.13 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.955 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.19 -25.89 2.1 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.714 2.276 . . . . 0.0 112.613 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 2.4 p -81.68 -26.14 34.93 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.136 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 221' ' ' ASP . . . . . 0.591 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 1.1 m-20 -44.96 137.8 3.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.962 0.41 . . . . 0.0 110.825 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 222' ' ' THR . . . . . 0.461 ' O ' ' N ' ' C' ' 225' ' ' ASN . 18.2 p -91.25 136.5 33.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.463 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 20.9 mm -41.54 -48.66 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.523 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -53.78 -36.56 62.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.275 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 225' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' C' ' 222' ' ' THR . 32.6 t-20 -65.23 -41.01 94.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.12 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 13.7 t -63.09 -44.51 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.088 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -56.93 -39.08 73.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.123 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.71 -45.01 91.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.248 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -56.74 -51.33 69.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.269 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 73.3 mt -56.16 -45.12 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.223 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.75 -26.14 44.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.083 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -76.66 -39.0 53.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.336 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -72.18 -63.67 1.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.283 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -80.89 -115.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.589 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -167.54 10.87 0.06 OUTLIER Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 236' ' ' ILE . . . . . 0.498 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 40.4 mt -79.55 116.24 59.26 Favored Pre-proline 0 C--N 1.329 -0.324 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.26 152.12 74.38 Favored 'Trans proline' 0 C--N 1.314 -1.263 0 C-N-CA 121.468 1.445 . . . . 0.0 111.478 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -47.49 -60.89 0.71 Allowed 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.427 2.085 . . . . 0.0 111.97 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 239' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' C' ' 239' ' ' ASP . 9.9 t70 -47.36 -22.37 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.796 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -104.48 34.04 3.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.764 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 241' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 67.7 mt-30 -134.51 144.69 48.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.583 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 242' ' ' ARG . . . . . 0.778 HH12 ' ND2' ' D' ' 328' ' ' ASN . 19.5 ttm180 -150.47 122.98 8.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.283 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 243' ' ' LEU . . . . . 0.564 HD22 HD23 ' C' ' 267' ' ' LEU . 76.7 mt -101.0 130.55 47.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.074 0.464 . . . . 0.0 110.997 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.6 mt -128.62 126.28 64.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.208 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 245' ' ' PHE . . . . . 0.533 ' CZ ' ' OD2' ' A' ' 25' ' ' ASP . 63.2 t80 -110.89 74.19 0.86 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.654 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 246' ' ' ALA . . . . . 0.483 ' C ' ' H ' ' C' ' 248' ' ' LYS . . . 66.04 69.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.847 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 247' ' ' GLY . . . . . 0.563 ' H ' ' HB3' ' D' ' 331' ' ' CYS . . . 73.55 -23.07 1.02 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 248' ' ' LYS . . . . . 0.483 ' H ' ' C ' ' C' ' 246' ' ' ALA . 87.7 mttt -81.99 90.74 6.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.737 0.303 . . . . 0.0 110.62 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -68.25 128.35 36.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.063 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 8.5 mt -89.29 134.21 34.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 0.0 110.845 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -82.6 159.97 22.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.544 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.72 -18.63 58.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.968 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -107.04 43.09 1.76 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 21.7 mmt-85 -139.81 175.43 9.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.634 0.254 . . . . 0.0 110.344 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 255' ' ' THR . . . . . 0.411 ' C ' ' H ' ' C' ' 257' ' ' SER . 26.6 p -119.43 163.37 17.34 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.736 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 256' ' ' LEU . . . . . 0.419 ' CD1' HG21 ' C' ' 217' ' ' VAL . 95.8 mt -66.21 1.18 1.64 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.689 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 257' ' ' SER . . . . . 0.492 ' C ' ' H ' ' C' ' 259' ' ' TYR . 29.6 t -96.41 -33.49 11.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.623 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.75 17.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.595 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 259' ' ' TYR . . . . . 0.492 ' H ' ' C ' ' C' ' 257' ' ' SER . 68.9 m-85 -140.63 2.77 1.83 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.55 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 62.03 24.99 14.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.786 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 86.8 mt -75.92 111.32 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.362 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -86.65 -157.45 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.705 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -85.75 157.97 20.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.735 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 264' ' ' GLU . . . . . 0.417 ' OE1' ' O ' ' C' ' 202' ' ' GLN . 8.1 mm-40 56.66 25.75 10.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.846 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 16.0 m -79.01 136.83 37.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.386 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 5.0 m -83.42 108.52 16.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.707 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 267' ' ' LEU . . . . . 0.564 HD23 HD22 ' C' ' 243' ' ' LEU . 1.3 mp -98.39 125.23 43.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.262 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 268' ' ' HIS . . . . . 0.642 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -85.7 109.93 18.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.473 -179.873 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 62.8 tp -87.8 143.97 26.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.714 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 270' ' ' VAL . . . . . 0.48 HG22 HD13 ' D' ' 336' ' ' LEU . 2.0 t -145.27 137.59 20.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.361 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 271' ' ' LEU . . . . . 0.762 ' N ' HD12 ' C' ' 271' ' ' LEU . 6.4 mp -85.87 112.46 21.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.498 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 272' ' ' ARG . . . . . 0.574 ' NH1' ' NH2' ' C' ' 242' ' ' ARG . 40.6 mtp180 -62.97 120.13 10.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.619 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 273' ' ' LEU . . . . . 0.4 HD13 ' CD1' ' D' ' 343' ' ' PHE . 12.4 mt -89.9 74.77 7.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.508 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 22.2 ttt85 -72.25 56.65 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.568 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . -82.87 24.86 4.94 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 84.8 m . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.524 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 52.3 m -155.47 128.92 8.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.762 0.315 . . . . 0.0 110.513 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 311' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -167.48 153.0 7.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.543 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 312' ' ' LYS . . . . . 0.527 ' CD ' ' N ' ' D' ' 312' ' ' LYS . 3.0 mptp? -78.48 178.3 7.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.427 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -104.37 140.49 37.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -80.85 92.86 6.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.621 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 15.8 mt -99.57 43.66 1.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.532 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 99.3 p -84.42 -0.16 51.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.668 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -138.77 69.79 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.661 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -130.03 175.23 9.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.384 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.515 ' N ' ' OE1' ' D' ' 322' ' ' GLU . 33.3 mttp -128.19 170.09 13.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.756 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 320' ' ' TYR . . . . . 0.489 ' C ' ' CD1' ' D' ' 320' ' ' TYR . 8.0 t80 -62.01 -46.67 88.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.541 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -61.82 -48.01 82.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 322' ' ' GLU . . . . . 0.515 ' OE1' ' N ' ' D' ' 319' ' ' LYS . 73.3 mt-10 -56.44 -55.92 27.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.568 HD21 ' CD ' ' D' ' 342' ' ' GLU . 15.3 mt -59.02 -59.64 5.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.65 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 324' ' ' ARG . . . . . 0.423 ' NH2' HH21 ' C' ' 272' ' ' ARG . 16.2 tpt85 -53.09 -49.62 66.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.699 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 325' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' D' ' 329' ' ' THR . 32.0 t70 -62.03 -47.17 85.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.68 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 326' ' ' THR . . . . . 0.536 ' O ' ' N ' ' D' ' 330' ' ' SER . 54.5 m -55.54 -47.18 76.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.404 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 327' ' ' ILE . . . . . 0.473 HG23 HD22 ' D' ' 336' ' ' LEU . 85.2 mt -67.04 -31.98 55.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.43 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 328' ' ' ASN . . . . . 0.778 ' ND2' HH12 ' C' ' 242' ' ' ARG . 2.9 m-20 -88.31 -14.05 39.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.518 ' N ' ' O ' ' D' ' 325' ' ' ASP . 57.4 p -113.77 -13.42 12.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.93 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 330' ' ' SER . . . . . 0.536 ' N ' ' O ' ' D' ' 326' ' ' THR . 4.4 t -112.41 -176.58 2.95 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.043 0.449 . . . . 0.0 110.877 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 331' ' ' CYS . . . . . 0.563 ' HB3' ' H ' ' C' ' 247' ' ' GLY . 9.7 p -152.02 7.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.172 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -69.97 92.34 0.72 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.412 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 333' ' ' ILE . . . . . 0.697 ' HA ' HD12 ' D' ' 336' ' ' LEU . 2.1 mt -38.55 -41.86 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.668 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -54.76 -54.3 43.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.112 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 335' ' ' LEU . . . . . 0.45 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 8.5 mt -61.39 -42.16 98.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.023 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 336' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' D' ' 333' ' ' ILE . 84.0 mt -53.46 -44.51 68.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.434 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -68.05 -49.41 61.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.471 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -60.38 -43.9 96.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.251 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 339' ' ' CYS . . . . . 0.45 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 76.9 m -63.04 -53.44 53.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.155 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 340' ' ' ARG . . . . . 0.506 ' O ' ' CD2' ' D' ' 344' ' ' HIS . 22.2 mtp85 -51.88 -38.35 55.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.221 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -63.78 -60.04 3.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.612 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 342' ' ' GLU . . . . . 0.568 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.3 pt-20 -62.09 -36.48 81.83 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.433 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 343' ' ' PHE . . . . . 0.4 ' CD1' HD13 ' C' ' 273' ' ' LEU . 11.3 t80 -60.71 -42.06 96.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.139 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 344' ' ' HIS . . . . . 0.508 ' O ' ' N ' ' D' ' 348' ' ' LYS . 31.2 m170 -66.43 -50.18 64.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.056 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -50.01 -46.46 52.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.257 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 12.2 mtp85 -60.48 -47.37 86.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.626 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 347' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' D' ' 347' ' ' LEU . 4.4 mm? -75.64 -20.06 58.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.372 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 348' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' D' ' 344' ' ' HIS . 18.0 tptm -84.05 -75.84 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.487 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 349' ' ' VAL . . . . . . . . . . . . . 13.4 p -103.03 133.53 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.575 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 350' ' ' TYR . . . . . 0.527 ' CD2' ' O ' ' D' ' 350' ' ' TYR . 46.2 t80 -170.63 31.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.587 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 351' ' ' HIS . . . . . 0.447 ' OXT' ' ND1' ' D' ' 351' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.534 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 10' ' ' THR . 6.6 t -84.09 97.8 9.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.859 0.362 . . . . 0.0 110.532 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -84.86 77.66 10.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.561 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt -83.83 -160.16 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.487 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -129.57 157.4 42.16 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.444 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -113.11 92.91 4.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.663 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.4 mt -95.79 45.26 1.08 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.369 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.7 m -79.93 18.37 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.726 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -170.91 84.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.605 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -134.01 174.16 10.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.365 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.3 mttp -122.38 165.02 16.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.669 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.426 ' OH ' ' N ' ' B' ' 176' ' ' GLY . 18.7 t80 -63.27 -49.48 73.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.433 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.43 -36.22 81.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.662 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -66.41 -55.21 16.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.667 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.572 HD21 ' CD ' ' A' ' 42' ' ' GLU . 15.9 mt -55.27 -56.3 21.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.478 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.76 HH12 HH22 ' B' ' 142' ' ' ARG . 14.9 tpt85 -53.87 -53.36 53.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.472 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' A' ' 29' ' ' THR . 9.4 t70 -52.96 -51.15 62.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.435 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.577 ' O ' ' N ' ' A' ' 30' ' ' SER . 24.1 m -50.84 -50.33 56.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.671 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.7 mt -67.5 -22.77 29.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.491 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -101.73 0.41 35.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.248 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 25' ' ' ASP . 50.5 p -140.06 -1.53 1.56 Allowed 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.909 -0.317 . . . . 0.0 111.29 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.577 ' N ' ' O ' ' A' ' 26' ' ' THR . 2.0 t -119.72 157.15 29.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.021 0.439 . . . . 0.0 111.076 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.501 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 26.9 p -134.52 85.98 2.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.383 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -158.89 97.62 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.538 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.421 HG13 ' H ' ' A' ' 33' ' ' ILE . 1.9 mt -39.31 -42.39 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.863 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -56.41 -59.01 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.315 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 24.7 mt -58.88 -50.15 75.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.086 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.403 HD13 ' CG2' ' B' ' 170' ' ' VAL . 36.3 mt -50.41 -45.32 55.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.456 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.14 -48.95 77.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.386 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.89 -46.02 91.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.321 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 78.5 m -57.47 -53.52 57.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.283 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.2 mtp85 -55.63 -42.63 75.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.464 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -55.79 -62.86 1.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.658 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.572 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.9 pt-20 -59.57 -40.59 87.85 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.428 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.436 ' CD1' HD13 ' B' ' 173' ' ' LEU . 13.1 t80 -52.53 -42.66 64.56 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.027 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -69.99 -45.51 67.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.239 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -48.22 -52.94 18.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.488 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -46.88 -35.33 6.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.198 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 16.1 mt -86.07 -39.38 16.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.581 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -62.75 -60.51 3.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.558 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 50' ' ' TYR . 3.5 t 61.44 -123.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.373 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.403 ' N ' HG12 ' A' ' 49' ' ' VAL . 69.4 m-85 -137.6 82.67 1.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.497 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 64.1 m170 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.555 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.454 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 102' ' ' GLN . . . . . 0.535 ' N ' ' OE1' ' B' ' 102' ' ' GLN . 1.3 mp0 -81.13 108.97 15.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.547 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 11.2 pt -108.53 146.16 14.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.454 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -98.88 147.24 25.15 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.799 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 5.0 t -137.7 108.85 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.429 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' LYS . . . . . 0.428 ' HZ3' ' CG2' ' B' ' 166' ' ' THR . 22.8 mtmm -89.56 134.61 34.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.634 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 74.6 p -93.28 -162.04 0.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.274 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.646 HD22 ' N ' ' B' ' 108' ' ' LEU . 3.2 mm? -71.88 -52.84 15.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.499 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 109' ' ' THR . . . . . 0.42 ' H ' HG23 ' B' ' 109' ' ' THR . 6.0 p -62.99 -16.95 61.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.575 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.86 25.94 7.34 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -84.44 117.61 23.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.812 0.339 . . . . 0.0 110.515 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 6.5 m -91.24 135.23 33.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.676 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 2.2 mt -123.44 125.72 72.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.531 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 24.0 m -95.15 103.39 15.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.052 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 28.4 mt -114.69 135.65 53.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.975 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.603 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 4.2 mp0 -85.91 128.43 34.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.124 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 117' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' B' ' 101' ' ' MET . 15.8 m -147.05 -162.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.04 0.447 . . . . 0.0 110.973 -179.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -143.43 171.05 7.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.653 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -74.51 -6.84 18.85 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 C-N-CA 122.294 1.996 . . . . 0.0 112.318 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 2.4 p -104.92 -4.16 22.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.515 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -68.26 136.38 53.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.473 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 4.7 p -86.08 140.21 30.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.904 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 25.0 mm -45.97 -51.98 3.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.281 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -47.86 -40.85 22.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.242 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 125' ' ' ASN . . . . . 0.453 ' O ' ' HB3' ' B' ' 128' ' ' ALA . 30.1 t-20 -61.65 -46.03 91.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.072 179.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 42.3 t -56.48 -45.77 82.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.958 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -56.73 -33.36 66.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.975 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 128' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' B' ' 125' ' ' ASN . . . -64.96 -55.27 20.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.167 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.421 ' NZ ' ' OD1' ' B' ' 125' ' ' ASN . 48.9 mttp -51.56 -48.56 63.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.188 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 49.8 mt -55.99 -45.29 80.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.155 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -54.86 -30.14 57.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.996 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -72.47 -40.47 66.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.517 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -71.99 -65.95 0.7 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.394 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -77.67 -108.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.606 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 135' ' ' GLY . . . . . 0.407 ' H ' ' H ' ' B' ' 136' ' ' ILE . . . 176.62 16.48 0.02 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.456 ' O ' ' OE1' ' B' ' 141' ' ' GLN . 30.1 mt -81.72 128.45 69.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -57.75 144.96 92.16 Favored 'Trans proline' 0 C--N 1.313 -1.297 0 C-N-CA 121.531 1.487 . . . . 0.0 111.639 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -52.38 -29.99 41.41 Favored 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 122.171 1.914 . . . . 0.0 111.804 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 139' ' ' ASP . . . . . 0.455 ' C ' ' H ' ' B' ' 141' ' ' GLN . 0.7 OUTLIER -71.01 -56.15 6.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.612 -179.845 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.427 ' OE1' ' O ' ' B' ' 172' ' ' ARG . 13.4 mm100 -71.44 41.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.598 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.456 ' OE1' ' O ' ' B' ' 136' ' ' ILE . 35.8 mt-30 -134.36 160.03 39.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.586 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.76 HH22 HH12 ' A' ' 24' ' ' ARG . 11.3 ttm180 -170.34 151.97 3.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.754 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.3 mt -130.77 138.25 49.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.135 0.493 . . . . 0.0 111.218 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 2.0 mt -130.2 137.18 57.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.903 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 145' ' ' PHE . . . . . 0.472 ' O ' ' N ' ' B' ' 148' ' ' LYS . 64.8 t80 -153.69 161.17 42.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.668 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 39.99 29.45 0.05 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.684 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 147' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' B' ' 145' ' ' PHE . . . 66.64 42.7 93.22 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 148' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' B' ' 145' ' ' PHE . 86.2 mttt -150.8 137.47 18.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.618 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -81.7 127.32 32.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.19 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 10.1 mt -83.08 133.32 35.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 110.69 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -80.07 159.98 25.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.572 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.9 -4.17 55.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.758 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -120.61 40.49 2.15 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -139.56 171.32 14.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.637 0.256 . . . . 0.0 110.326 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 3.8 p -110.73 163.27 13.93 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.907 0.384 . . . . 0.0 110.77 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.44 -16.2 61.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.763 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 157' ' ' SER . . . . . 0.5 ' C ' ' H ' ' B' ' 159' ' ' TYR . 2.5 t -78.07 -34.2 50.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.687 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -72.53 17.8 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.618 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 159' ' ' TYR . . . . . 0.5 ' H ' ' C ' ' B' ' 157' ' ' SER . 59.8 m-85 -140.58 1.62 1.75 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.536 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 60.6 t30 62.66 26.62 15.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.752 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 83.0 mt -79.53 100.02 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.454 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -83.82 -157.35 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.747 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 7.3 ptp85 -82.48 161.56 22.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.736 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 57.17 15.63 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.633 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 35.1 m -81.25 136.35 35.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 166' ' ' THR . . . . . 0.428 ' CG2' ' HZ3' ' B' ' 106' ' ' LYS . 3.1 m -87.04 155.35 20.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.453 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 167' ' ' LEU . . . . . 0.467 HD23 ' HB2' ' B' ' 145' ' ' PHE . 11.0 mt -139.79 124.27 18.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.598 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 168' ' ' HIS . . . . . 0.654 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.2 OUTLIER -83.77 105.65 14.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.177 179.761 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 169' ' ' LEU . . . . . 0.8 HD23 ' N ' ' B' ' 170' ' ' VAL . 5.8 tt -85.7 131.54 34.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.164 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 170' ' ' VAL . . . . . 0.8 ' N ' HD23 ' B' ' 169' ' ' LEU . 3.0 t -127.57 140.84 48.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.311 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.562 ' N ' HD12 ' B' ' 171' ' ' LEU . 8.6 mp -80.97 106.45 12.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.512 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 172' ' ' ARG . . . . . 0.616 ' NH1' ' NH2' ' A' ' 24' ' ' ARG . 46.8 ttt85 -60.66 110.21 1.24 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.519 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 173' ' ' LEU . . . . . 0.436 HD13 ' CD1' ' A' ' 43' ' ' PHE . 27.6 mt -78.07 142.24 38.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.535 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -81.3 128.77 34.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.566 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 161.79 167.0 21.6 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 176' ' ' GLY . . . . . 0.426 ' N ' ' OH ' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.526 0.755 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 201' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -95.92 115.39 27.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.694 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 17.6 pt -106.73 147.53 11.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.564 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -96.88 146.47 24.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.651 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 44.9 t -134.55 106.8 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.323 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -93.79 134.28 36.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 48.8 p -91.32 -169.56 2.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.424 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 208' ' ' LEU . . . . . 0.959 HD22 ' H ' ' C' ' 208' ' ' LEU . 0.4 OUTLIER -85.64 22.53 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.512 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 11.7 p -136.5 1.51 2.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.524 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 89.85 8.92 66.7 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -80.04 112.66 17.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.727 0.299 . . . . 0.0 110.556 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 15.2 m -95.04 143.27 26.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.704 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 1.4 mt -133.69 124.64 48.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.446 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 30.5 m -90.92 111.84 23.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.314 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 16.8 mt -116.91 128.73 55.51 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.944 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -81.02 122.22 27.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.13 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 217' ' ' VAL . . . . . . . . . . . . . 11.0 m -146.89 -169.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.007 0.432 . . . . 0.0 110.985 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 218' ' ' GLU . . . . . 0.524 ' N ' ' OD2' ' C' ' 221' ' ' ASP . 43.2 mt-10 -147.44 153.73 44.31 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.97 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.68 -48.59 10.27 Favored 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.832 2.355 . . . . 0.0 112.595 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 2.4 p -59.48 -36.14 75.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.38 -179.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 221' ' ' ASP . . . . . 0.524 ' OD2' ' N ' ' C' ' 218' ' ' GLU . 6.2 m-20 -41.8 138.28 1.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.014 0.435 . . . . 0.0 110.908 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 19.1 p -90.3 138.31 31.64 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.626 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 20.3 mm -43.78 -55.76 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.577 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -45.84 -43.15 13.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.31 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 225' ' ' ASN . . . . . 0.482 ' O ' ' HB3' ' C' ' 228' ' ' ALA . 30.4 t-20 -59.16 -46.07 89.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.416 . . . . 0.0 109.891 179.575 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 36.7 t -55.81 -47.44 79.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 227' ' ' LYS . . . . . 0.443 ' O ' ' OE1' ' C' ' 241' ' ' GLN . 80.3 mttt -53.82 -33.79 57.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.857 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 228' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' C' ' 225' ' ' ASN . . . -66.78 -41.19 88.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.151 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 48.5 mttm -62.18 -42.04 98.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.385 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 44.7 mt -65.25 -46.83 89.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.34 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 231' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' C' ' 231' ' ' GLN . 0.9 OUTLIER -55.75 -30.72 61.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.356 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 232' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' C' ' 228' ' ' ALA . 22.8 m-20 -76.21 -28.04 57.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.374 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 24.5 mmtm -78.55 -62.2 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.416 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -82.94 -79.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.5 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 235' ' ' GLY . . . . . 0.411 ' H ' ' H ' ' C' ' 236' ' ' ILE . . . 153.74 9.11 0.08 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 236' ' ' ILE . . . . . 0.527 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 47.6 mt -82.48 129.58 62.41 Favored Pre-proline 0 C--N 1.329 -0.299 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -56.12 149.84 51.44 Favored 'Trans proline' 0 N--CA 1.49 1.274 0 C-N-CA 121.568 1.512 . . . . 0.0 111.567 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 238' ' ' PRO . . . . . 0.512 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.5 Cg_endo -50.32 -68.11 0.09 OUTLIER 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.319 2.013 . . . . 0.0 112.146 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -39.01 -31.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.285 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -89.19 29.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.9 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 241' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 87.3 mt-30 -134.89 95.84 3.41 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.765 0.316 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 242' ' ' ARG . . . . . . . . . . . . . 31.5 ttt85 -100.95 120.84 40.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.103 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 12.5 mt -96.33 133.5 40.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.116 0.484 . . . . 0.0 111.224 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 244' ' ' ILE . . . . . 0.419 HG21 ' SG ' ' D' ' 331' ' ' CYS . 1.7 mt -130.1 117.65 41.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.883 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 245' ' ' PHE . . . . . 0.524 ' CZ ' ' OD2' ' A' ' 25' ' ' ASP . 46.5 t80 -100.52 76.34 1.83 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.878 0.371 . . . . 0.0 111.099 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 50.6 88.71 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.151 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 247' ' ' GLY . . . . . . . . . . . . . . . 58.31 36.31 82.72 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.531 -0.627 . . . . 0.0 111.531 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -151.02 89.54 1.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.718 0.294 . . . . 0.0 110.847 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.19 117.21 11.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.009 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 10.9 mt -77.45 141.21 39.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.967 0.413 . . . . 0.0 111.12 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -83.99 160.24 21.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.398 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.95 -3.31 59.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.714 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -123.02 39.38 2.25 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 62.1 mmt-85 -139.41 175.54 9.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.676 0.274 . . . . 0.0 110.356 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 8.8 p -112.64 156.24 23.07 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.885 0.374 . . . . 0.0 110.815 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.12 -5.6 1.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.572 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 257' ' ' SER . . . . . . . . . . . . . 8.3 t -85.38 -40.77 16.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.693 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -51.9 -33.99 39.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.745 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -96.46 10.54 37.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.715 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 50.77 39.68 22.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 69.1 mt -82.33 105.12 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.383 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -82.78 -156.83 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -83.93 161.67 20.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 55.58 29.05 12.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.721 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 37.9 m -83.17 131.99 35.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.573 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 9.1 m -87.92 112.38 22.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.495 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 11.3 mt -107.27 132.95 52.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.561 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 268' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -90.79 110.22 21.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.404 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 30.8 tp -86.18 139.2 31.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 270' ' ' VAL . . . . . 0.597 ' CG1' ' CZ ' ' D' ' 340' ' ' ARG . 12.1 t -134.27 145.29 33.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.231 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 271' ' ' LEU . . . . . . . . . . . . . 7.9 mt -87.27 97.28 10.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.538 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -62.48 101.87 0.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.54 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 273' ' ' LEU . . . . . . . . . . . . . 12.6 mt -78.23 151.06 33.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.53 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 -143.61 151.43 40.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.504 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . -175.28 125.34 1.07 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 92.4 m . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.541 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -157.6 121.39 4.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 110.606 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 311' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -113.37 125.7 54.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.517 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 312' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -60.4 -156.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.596 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -139.24 136.79 35.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.463 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 314' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' D' ' 314' ' ' ASP . 0.5 OUTLIER -84.45 92.99 8.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.624 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 10.6 mt -95.79 44.98 1.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.457 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 59.0 p -82.98 18.44 1.64 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.787 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.75 84.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.66 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -133.83 -178.29 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.281 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -125.28 160.55 28.99 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.563 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -58.37 -51.37 70.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.578 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -63.14 -45.09 93.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.748 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -57.49 -43.45 84.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.68 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.556 HD21 ' CD ' ' D' ' 342' ' ' GLU . 14.6 mt -67.63 -55.39 13.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.512 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 324' ' ' ARG . . . . . . . . . . . . . 9.9 ttt-85 -57.12 -53.39 58.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.605 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 325' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' D' ' 329' ' ' THR . 8.0 t70 -53.37 -50.98 63.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.343 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 326' ' ' THR . . . . . 0.581 ' O ' ' N ' ' D' ' 330' ' ' SER . 63.7 m -53.92 -47.84 70.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.289 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 327' ' ' ILE . . . . . 0.719 HD13 ' NH1' ' D' ' 340' ' ' ARG . 57.9 mt -67.57 -31.43 52.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.445 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 328' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -88.82 -4.42 58.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.723 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.451 ' N ' ' O ' ' D' ' 325' ' ' ASP . 71.0 p -126.75 -10.26 6.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.198 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 330' ' ' SER . . . . . 0.581 ' N ' ' O ' ' D' ' 326' ' ' THR . 13.7 t -104.94 173.51 6.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.054 0.454 . . . . 0.0 111.14 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 331' ' ' CYS . . . . . 0.419 ' SG ' HG21 ' C' ' 244' ' ' ILE . 96.9 m -150.1 34.12 0.66 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.447 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 332' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' D' ' 333' ' ' ILE . 0.9 OUTLIER -110.11 101.83 10.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.651 -179.818 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 333' ' ' ILE . . . . . 0.742 ' H ' HD12 ' D' ' 333' ' ' ILE . 0.7 OUTLIER -38.96 -44.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.474 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -53.43 -57.03 12.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.041 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 335' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' D' ' 335' ' ' LEU . 18.6 mt -59.85 -47.01 87.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.939 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 336' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' D' ' 333' ' ' ILE . 23.5 mt -54.67 -46.64 74.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.449 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -64.07 -49.15 73.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.456 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -56.87 -43.37 81.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.338 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 339' ' ' CYS . . . . . 0.558 ' HB3' HD11 ' D' ' 327' ' ' ILE . 61.6 m -63.08 -53.59 51.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.197 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 340' ' ' ARG . . . . . 0.719 ' NH1' HD13 ' D' ' 327' ' ' ILE . 0.8 OUTLIER -56.7 -31.32 64.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.265 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -67.27 -53.68 27.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.304 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 342' ' ' GLU . . . . . 0.556 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.7 pt-20 -67.95 -37.76 81.99 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.706 -0.397 . . . . 0.0 110.49 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -62.18 -44.95 95.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 344' ' ' HIS . . . . . 0.456 ' CG ' ' O ' ' D' ' 340' ' ' ARG . 30.8 m170 -64.71 -54.68 27.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.266 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -47.18 -56.3 6.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.432 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 69.4 mtt-85 -46.04 -43.5 14.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.716 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 57.1 mt -69.17 -64.49 0.86 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.542 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 35.3 tptt -44.82 -44.75 9.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.51 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 349' ' ' VAL . . . . . . . . . . . . . 22.6 t -84.1 112.62 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.491 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 350' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -78.16 59.32 2.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.573 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 351' ' ' HIS . . . . . . . . . . . . . 72.7 t60 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.549 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.667 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.415 ' CG2' ' CE2' ' A' ' 13' ' ' TYR . 4.7 t -174.15 143.42 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.546 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 12' ' ' LYS . 55.7 tttp -60.18 108.0 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.573 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.469 ' C ' ' CD1' ' A' ' 13' ' ' TYR . 11.5 mmmt 44.11 -170.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.583 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.52 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 3.3 m-85 -145.35 144.42 30.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.537 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -80.9 92.88 6.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.57 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.0 mt -97.35 43.42 1.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.466 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.7 t -82.33 2.71 30.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.692 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -147.68 73.81 1.29 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.692 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -131.12 159.42 37.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.341 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -105.49 168.28 9.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.74 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -66.21 -47.31 74.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.464 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.85 -36.38 79.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.681 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -67.58 -55.33 13.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.621 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.59 HD21 ' CD ' ' A' ' 42' ' ' GLU . 16.0 mt -56.6 -56.76 17.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.549 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -54.81 -53.41 55.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.509 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.434 ' O ' ' OG1' ' A' ' 29' ' ' THR . 5.6 t70 -54.63 -50.23 68.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.566 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 30' ' ' SER . 25.6 m -53.59 -40.99 66.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.669 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.1 mt -76.43 -25.04 16.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.67 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.513 ' ND2' HH21 ' B' ' 142' ' ' ARG . 2.4 m-20 -91.03 -8.33 49.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.945 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.48 HG21 ' HB2' ' C' ' 246' ' ' ALA . 16.9 p -126.74 -44.46 1.66 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.01 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.5 OUTLIER -76.61 150.09 36.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.019 0.437 . . . . 0.0 111.064 -179.495 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.609 ' SG ' ' CG ' ' B' ' 168' ' ' HIS . 13.5 t -124.92 31.5 5.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.29 94.19 9.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.515 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.497 ' HA ' HD12 ' A' ' 36' ' ' LEU . 2.6 mt -39.46 -40.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.855 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -57.43 -59.04 5.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.417 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.456 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 11.9 mt -58.78 -46.13 88.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.192 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.499 HD13 ' CG2' ' B' ' 170' ' ' VAL . 82.9 mt -50.69 -43.71 57.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.451 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.56 -49.31 66.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.23 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.66 -41.29 90.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.222 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 70.8 m -61.22 -53.5 56.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.152 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.423 ' HE ' ' HB2' ' B' ' 171' ' ' LEU . 17.4 mtp-105 -52.54 -42.31 64.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.183 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -59.1 -62.87 1.56 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.729 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.59 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.9 pt-20 -59.73 -42.01 92.17 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.457 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.497 ' CD1' HD13 ' B' ' 173' ' ' LEU . 21.4 t80 -53.49 -41.41 66.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.065 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.42 ' CD2' ' O ' ' A' ' 40' ' ' ARG . 16.2 m170 -69.27 -44.33 72.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.165 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 49' ' ' VAL . 48.1 mtp180 -51.34 -52.52 44.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.456 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.452 ' O ' HG12 ' A' ' 49' ' ' VAL . 1.3 mpt_? -46.01 -32.02 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.237 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.4 mt -89.16 -37.06 15.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.496 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -89.64 10.65 22.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.6 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.853 HG22 ' H ' ' A' ' 50' ' ' TYR . 8.1 p -74.02 179.65 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.387 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.853 ' H ' HG22 ' A' ' 49' ' ' VAL . 8.1 t80 -64.98 -141.55 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.409 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 . . . . . 0 C--N 1.324 -0.521 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.639 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 2.1 ptt? . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -100.65 117.5 34.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.581 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 23.4 pt -103.88 149.74 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.609 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -102.27 133.04 47.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.586 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 97.2 t -119.28 113.46 41.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.315 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -98.25 132.45 43.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.768 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' THR . . . . . 0.456 ' O ' ' N ' ' B' ' 110' ' ' GLY . 24.5 p -99.56 -179.81 4.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.32 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 1.062 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.4 OUTLIER -42.81 -66.9 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.531 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 36.8 p -56.41 -5.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.539 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' B' ' 108' ' ' LEU . . . 89.64 3.61 74.21 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -52.03 112.64 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.746 0.307 . . . . 0.0 110.402 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.1 m -87.77 146.29 25.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.668 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 2.9 mt -140.73 127.92 22.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.556 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 8.5 m -91.88 112.33 24.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.258 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 20.8 mt -116.29 126.67 53.88 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.873 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -78.12 117.78 19.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.154 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 7.6 m -146.47 168.54 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.949 0.404 . . . . 0.0 110.991 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.524 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 1.5 mt-10 -111.44 177.51 1.19 Allowed Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.586 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -74.76 -28.29 9.76 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.375 2.05 . . . . 0.0 112.006 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 3.9 t -84.91 -12.91 52.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.663 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 121' ' ' ASP . . . . . 0.524 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 50.7 m-20 -54.42 135.74 44.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.53 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 15.4 p -86.55 140.14 30.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 5.2 mm -46.72 -41.21 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.11 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.15 -40.55 74.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.0 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 125' ' ' ASN . . . . . 0.446 ' O ' ' HB3' ' B' ' 128' ' ' ALA . 32.1 t-20 -62.36 -40.88 97.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.798 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 19.1 t -60.72 -53.07 54.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.928 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 39.9 mttp -49.99 -34.45 21.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.777 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 128' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' B' ' 125' ' ' ASN . . . -66.0 -43.16 88.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.138 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -59.93 -40.18 88.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.319 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 4.8 mt -66.87 -47.96 81.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.359 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -55.71 -24.55 35.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.282 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 132' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' B' ' 128' ' ' ALA . 1.0 OUTLIER -83.52 -27.7 29.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.565 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -83.78 -65.89 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.667 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -81.21 -106.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.65 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -175.83 18.85 0.04 OUTLIER Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.43 ' O ' ' OE1' ' B' ' 141' ' ' GLN . 36.7 mt -91.78 112.51 54.97 Favored Pre-proline 0 CA--C 1.532 0.258 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -63.92 152.72 79.53 Favored 'Trans proline' 0 C--N 1.314 -1.268 0 C-N-CA 121.484 1.456 . . . . 0.0 111.761 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.9 Cg_endo -47.82 -62.63 0.41 Allowed 'Trans proline' 0 C--N 1.309 -1.552 0 C-N-CA 122.497 2.131 . . . . 0.0 111.892 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -43.45 -23.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.69 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.416 ' N ' ' C ' ' B' ' 138' ' ' PRO . 80.0 mt-30 -105.66 34.87 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.546 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' B' ' 138' ' ' PRO . 33.5 mt-30 -134.37 163.98 28.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.56 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.614 ' NH1' ' NE2' ' B' ' 149' ' ' GLN . 25.2 ttt85 -170.32 104.59 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.162 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 13.1 mt -87.39 128.09 35.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.07 0.462 . . . . 0.0 110.903 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 144' ' ' ILE . . . . . 0.516 HG22 ' SG ' ' A' ' 31' ' ' CYS . 1.7 mt -123.05 142.4 39.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.084 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 145' ' ' PHE . . . . . 0.417 ' O ' ' HB3' ' B' ' 146' ' ' ALA . 66.2 t80 -146.39 104.4 3.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.815 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 146' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' B' ' 145' ' ' PHE . . . 65.7 72.65 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 38.64 43.14 1.56 Allowed Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -148.57 119.36 7.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.884 0.373 . . . . 0.0 110.535 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 149' ' ' GLN . . . . . 0.614 ' NE2' ' NH1' ' B' ' 142' ' ' ARG . 24.5 tt0 -80.23 124.85 29.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.317 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 14.5 mt -79.42 128.48 33.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.661 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -75.4 162.01 28.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.644 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.22 -34.11 49.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.707 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -88.86 41.29 3.04 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -139.68 146.89 40.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.756 0.312 . . . . 0.0 110.468 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 155' ' ' THR . . . . . 0.416 ' C ' ' H ' ' B' ' 157' ' ' SER . 15.8 p -94.81 164.43 12.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.881 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 79.8 mt -66.6 2.15 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.64 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 157' ' ' SER . . . . . 0.416 ' H ' ' C ' ' B' ' 155' ' ' THR . 85.4 p -96.46 -27.57 14.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.521 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -78.54 15.28 1.04 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.567 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -140.57 5.49 2.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.534 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 60.98 25.91 15.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.698 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 84.5 mt -77.55 99.64 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.517 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -82.86 -157.21 0.21 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.665 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -83.59 160.2 21.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.779 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 55.79 23.08 6.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.734 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 28.9 m -85.21 135.74 33.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.499 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 8.0 m -84.51 152.49 23.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.532 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.1 mt -140.09 132.49 28.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.307 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 168' ' ' HIS . . . . . 0.666 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.1 OUTLIER -88.58 100.12 12.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.47 -179.834 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 46.1 tp -84.79 133.49 34.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.862 0.363 . . . . 0.0 110.673 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 170' ' ' VAL . . . . . 0.499 ' CG2' HD13 ' A' ' 36' ' ' LEU . 2.5 t -133.9 142.44 41.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.498 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.681 ' N ' HD12 ' B' ' 171' ' ' LEU . 8.0 mp -80.49 105.19 11.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.571 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -57.69 105.11 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.529 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 173' ' ' LEU . . . . . 0.497 HD13 ' CD1' ' A' ' 43' ' ' PHE . 23.8 mt -72.83 167.93 19.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.533 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -59.56 137.79 57.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.528 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 160.78 83.37 0.05 OUTLIER Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.707 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 201' ' ' MET . . . . . 0.524 ' N ' ' O ' ' C' ' 217' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 202' ' ' GLN . . . . . 0.411 ' O ' ' OE1' ' C' ' 264' ' ' GLU . 61.2 mt-30 -86.72 119.2 26.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.544 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 15.8 pt -112.47 145.12 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.626 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -99.31 143.03 30.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.439 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 75.9 t -124.63 114.45 40.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.396 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 7.7 tptp -80.37 143.14 33.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.585 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 6.8 p -112.07 175.25 5.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.485 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 208' ' ' LEU . . . . . 0.898 HD22 ' H ' ' C' ' 208' ' ' LEU . 0.5 OUTLIER -83.54 23.89 0.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.424 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 209' ' ' THR . . . . . 0.486 ' C ' ' H ' ' C' ' 211' ' ' LYS . 9.3 p -136.52 26.03 3.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.553 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 67.87 -8.82 1.64 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 211' ' ' LYS . . . . . 0.486 ' H ' ' C ' ' C' ' 209' ' ' THR . 46.0 tttm -76.05 161.74 28.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.55 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 212' ' ' THR . . . . . 0.501 HG22 ' N ' ' C' ' 213' ' ' ILE . 54.3 m -136.27 160.48 38.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.474 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 213' ' ' ILE . . . . . 0.501 ' N ' HG22 ' C' ' 212' ' ' THR . 2.2 mt -141.1 125.98 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.604 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 4.9 m -99.35 126.06 45.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.365 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 38.0 mt -131.86 138.72 48.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.877 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 216' ' ' GLU . . . . . 0.596 ' H ' ' CD ' ' C' ' 216' ' ' GLU . 17.1 mp0 -84.15 125.64 32.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.122 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 217' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' C' ' 201' ' ' MET . 10.8 m -146.69 179.27 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.964 0.411 . . . . 0.0 110.874 -179.535 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 218' ' ' GLU . . . . . 0.568 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 83.7 mt-10 -135.62 150.07 70.96 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.966 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.92 -22.48 2.02 Favored 'Trans proline' 0 C--N 1.31 -1.462 0 C-N-CA 122.532 2.155 . . . . 0.0 112.344 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.3 p -92.94 11.27 27.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.057 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 221' ' ' ASP . . . . . 0.568 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 7.9 m-20 -84.05 134.31 34.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 110.303 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 222' ' ' THR . . . . . 0.462 ' O ' ' N ' ' C' ' 225' ' ' ASN . 6.9 p -84.17 134.4 34.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.805 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 31.3 mm -43.84 -45.23 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.16 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -55.76 -34.15 64.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.068 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 225' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' C' ' 222' ' ' THR . 29.6 t-20 -66.94 -39.26 87.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.994 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 14.8 t -65.29 -47.68 86.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.235 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -55.96 -37.31 68.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.243 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -66.48 -38.2 86.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.402 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -64.16 -42.52 96.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.478 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 59.4 mt -68.73 -29.59 44.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.497 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 231' ' ' GLN . . . . . 0.582 ' NE2' ' O ' ' C' ' 231' ' ' GLN . 1.4 tm0? -73.15 -22.65 60.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.196 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -83.54 -36.07 24.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.598 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -83.35 -66.4 0.9 Allowed 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.318 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -68.19 -114.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.551 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -172.9 13.37 0.04 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 236' ' ' ILE . . . . . 0.523 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 15.2 mt -93.25 112.9 58.37 Favored Pre-proline 0 CA--C 1.532 0.277 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -62.28 155.46 56.79 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 121.564 1.509 . . . . 0.0 111.774 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 238' ' ' PRO . . . . . 0.522 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.7 Cg_endo -46.3 -67.82 0.11 Allowed 'Trans proline' 0 C--N 1.309 -1.526 0 C-N-CA 122.696 2.264 . . . . 0.0 112.015 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -42.29 -20.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.831 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 240' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' C' ' 238' ' ' PRO . 32.3 mt-30 -108.39 33.8 3.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.646 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 241' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 58.0 mt-30 -134.37 162.8 31.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.46 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 242' ' ' ARG . . . . . 0.634 HH21 ' CD ' ' C' ' 272' ' ' ARG . 18.9 ttm180 -170.26 116.52 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.473 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 17.5 mt -97.89 132.44 43.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.732 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.5 mt -126.16 142.72 41.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.5 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 245' ' ' PHE . . . . . 0.664 ' O ' ' HB3' ' C' ' 246' ' ' ALA . 60.7 t80 -143.36 93.02 2.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.604 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 246' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' C' ' 245' ' ' PHE . . . 81.18 52.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.65 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 247' ' ' GLY . . . . . 0.487 ' H ' ' HB3' ' D' ' 331' ' ' CYS . . . 72.48 -41.82 0.82 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 248' ' ' LYS . . . . . 0.412 ' H ' ' C ' ' C' ' 246' ' ' ALA . 7.0 ptpt -70.68 137.78 50.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.942 0.401 . . . . 0.0 110.84 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 249' ' ' GLN . . . . . 0.626 ' NE2' ' NE ' ' C' ' 242' ' ' ARG . 32.0 tt0 -91.91 143.71 26.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.289 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 11.6 mt -89.23 125.57 35.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.767 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 251' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' C' ' 251' ' ' GLU . 0.6 OUTLIER -68.91 162.21 27.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.612 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.72 -33.58 31.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.857 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -92.52 41.45 2.76 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 22.9 mmt-85 -139.74 170.58 15.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.669 0.271 . . . . 0.0 110.314 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 23.5 p -113.48 163.66 14.62 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.691 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 88.5 mt -58.7 -39.38 80.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.699 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 257' ' ' SER . . . . . 0.491 ' C ' ' H ' ' C' ' 259' ' ' TYR . 14.6 t -59.42 -33.66 71.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -71.7 15.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.731 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 259' ' ' TYR . . . . . 0.491 ' H ' ' C ' ' C' ' 257' ' ' SER . 54.8 m-85 -140.71 5.92 2.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.577 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 260' ' ' ASN . . . . . 0.524 ' ND2' ' OE1' ' B' ' 149' ' ' GLN . 53.9 t30 60.83 27.24 17.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.787 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 82.5 mt -80.49 105.98 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.449 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -83.26 -157.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -85.65 157.64 20.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.745 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 264' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' C' ' 202' ' ' GLN . 6.0 mm-40 58.57 32.1 21.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.847 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 29.6 m -84.37 128.28 34.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.531 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 8.0 m -91.86 93.04 8.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.647 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 267' ' ' LEU . . . . . 0.55 ' C ' ' HD1' ' C' ' 268' ' ' HIS . 2.4 mp -78.62 168.73 19.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.591 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 268' ' ' HIS . . . . . 0.617 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.1 OUTLIER -114.98 111.75 21.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.179 179.712 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 42.2 tp -89.8 131.4 35.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.365 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 270' ' ' VAL . . . . . 0.482 HG11 HG23 ' D' ' 327' ' ' ILE . 0.8 OUTLIER -136.38 141.93 39.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.441 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 271' ' ' LEU . . . . . 0.642 ' N ' HD12 ' C' ' 271' ' ' LEU . 8.3 mp -80.36 99.46 7.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.297 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 272' ' ' ARG . . . . . 0.634 ' CD ' HH21 ' C' ' 242' ' ' ARG . 24.0 ttm180 -56.72 110.91 0.87 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.476 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 273' ' ' LEU . . . . . 0.499 HD13 ' CD1' ' D' ' 343' ' ' PHE . 11.8 mt -86.09 68.79 10.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.496 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -76.53 103.27 6.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.601 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . -73.83 -136.57 0.35 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 17.9 t . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.59 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.623 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 310' ' ' THR . . . . . 0.419 ' O ' ' O ' ' D' ' 311' ' ' LYS . 53.4 m -156.96 104.78 2.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.744 0.306 . . . . 0.0 110.475 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 311' ' ' LYS . . . . . 0.471 ' NZ ' ' OD1' ' D' ' 314' ' ' ASP . 23.7 ttpp 60.13 134.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.578 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 312' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -60.87 177.72 0.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.622 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -91.36 126.2 36.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.529 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 314' ' ' ASP . . . . . 0.471 ' OD1' ' NZ ' ' D' ' 311' ' ' LYS . 1.2 m-20 -77.84 92.91 4.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.55 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 13.8 mt -87.58 41.38 0.98 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.519 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 65.8 m -86.09 18.37 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.636 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -147.44 18.57 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.589 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -91.56 173.83 7.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.497 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -116.67 163.72 15.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.347 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -61.26 -49.35 77.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.622 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.72 96.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.712 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -57.38 -58.54 7.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.486 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.545 HD13 ' OE1' ' D' ' 342' ' ' GLU . 16.1 mt -52.87 -61.58 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.54 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 324' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -53.07 -51.86 60.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.436 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 325' ' ' ASP . . . . . 0.54 ' O ' ' N ' ' D' ' 329' ' ' THR . 6.6 t70 -53.32 -51.14 63.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.475 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 326' ' ' THR . . . . . 0.549 ' O ' ' N ' ' D' ' 330' ' ' SER . 53.2 m -51.18 -48.05 62.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.704 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 327' ' ' ILE . . . . . 0.482 HG23 HG11 ' C' ' 270' ' ' VAL . 97.4 mt -66.46 -27.81 41.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.481 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 328' ' ' ASN . . . . . 0.696 ' N ' HD22 ' D' ' 328' ' ' ASN . 0.7 OUTLIER -99.64 1.06 43.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.277 -179.358 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.54 ' N ' ' O ' ' D' ' 325' ' ' ASP . 70.6 p -133.95 -6.24 2.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.608 0.242 . . . . 0.0 110.881 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 330' ' ' SER . . . . . 0.549 ' N ' ' O ' ' D' ' 326' ' ' THR . 3.0 t -118.11 170.84 8.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.984 0.421 . . . . 0.0 110.734 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 331' ' ' CYS . . . . . 0.487 ' HB3' ' H ' ' C' ' 247' ' ' GLY . 1.2 p -137.2 18.87 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.247 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -83.01 91.76 7.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.252 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 333' ' ' ILE . . . . . 0.542 ' HA ' HD12 ' D' ' 336' ' ' LEU . 3.4 mm -38.1 -44.18 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.816 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 334' ' ' GLU . . . . . 0.583 ' CD ' ' H ' ' D' ' 334' ' ' GLU . 20.8 mp0 -53.87 -58.8 5.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.35 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 7.9 mt -54.72 -45.14 74.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.33 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 336' ' ' LEU . . . . . 0.542 HD12 ' HA ' ' D' ' 333' ' ' ILE . 67.2 mt -50.59 -48.06 57.88 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.113 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.26 -49.26 77.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.275 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -62.44 -53.51 53.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.168 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 339' ' ' CYS . . . . . 0.464 ' O ' ' OE2' ' D' ' 342' ' ' GLU . 97.7 m -52.23 -35.82 50.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.164 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 340' ' ' ARG . . . . . 0.511 HH21 HD22 ' C' ' 271' ' ' LEU . 17.7 mtp-105 -76.22 -30.74 58.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.078 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 341' ' ' GLU . . . . . 0.426 ' CG ' ' N ' ' D' ' 342' ' ' GLU . 1.7 pt-20 -69.27 -43.41 73.97 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.089 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 342' ' ' GLU . . . . . 0.545 ' OE1' HD13 ' D' ' 323' ' ' LEU . 3.0 pp20? -73.01 -40.21 65.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.798 179.182 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 343' ' ' PHE . . . . . 0.499 ' CD1' HD13 ' C' ' 273' ' ' LEU . 8.3 t80 -59.54 -39.43 83.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.211 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -72.85 -56.36 5.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.501 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 345' ' ' ARG . . . . . 0.436 ' NH2' ' CB ' ' D' ' 342' ' ' GLU . 0.6 OUTLIER -46.61 -43.37 17.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.224 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 -53.68 -39.45 65.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.456 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 12.9 mt -81.95 -22.23 36.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.462 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -69.84 -58.24 4.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.569 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 349' ' ' VAL . . . . . 0.426 ' C ' ' H ' ' D' ' 351' ' ' HIS . 15.0 m -63.36 -168.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.568 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 350' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -78.13 29.9 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.567 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 351' ' ' HIS . . . . . 0.448 ' OXT' ' CG ' ' D' ' 351' ' ' HIS . 0.7 OUTLIER . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.559 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 11' ' ' LYS . 53.2 m -156.07 99.49 1.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.775 0.321 . . . . 0.0 110.51 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.422 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 4.5 mptp? 38.32 87.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.72 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -75.87 171.46 14.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.52 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.505 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 8.5 m-85 -97.03 122.76 40.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.51 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.71 92.86 5.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.481 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.9 mt -100.6 43.41 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.505 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.1 m -84.66 4.32 32.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.707 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.8 mttm -146.64 66.39 1.17 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.61 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -127.94 164.78 21.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.329 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -114.71 170.98 7.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.51 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -66.27 -45.56 80.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.511 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.81 80.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.662 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -68.45 -55.01 13.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.627 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.474 HD21 ' CD ' ' A' ' 42' ' ' GLU . 13.3 mt -58.2 -56.97 15.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.519 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.724 HH12 ' HE ' ' B' ' 172' ' ' ARG . 0.1 OUTLIER -53.05 -52.58 58.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.45 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.524 ' OD2' ' CE1' ' C' ' 245' ' ' PHE . 4.4 t70 -54.72 -50.26 68.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.484 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.553 ' O ' ' N ' ' A' ' 30' ' ' SER . 22.9 m -51.44 -46.66 63.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 88.4 mt -73.33 -25.64 21.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.894 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.601 ' ND2' HH12 ' B' ' 142' ' ' ARG . 2.4 m-20 -89.58 -7.6 54.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.091 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.47 HG21 ' HB3' ' C' ' 246' ' ' ALA . 21.9 p -129.97 -47.12 1.13 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.212 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.553 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.2 t -65.0 164.43 12.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.984 0.421 . . . . 0.0 111.168 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.441 ' SG ' ' CG2' ' B' ' 144' ' ' ILE . 85.2 m -141.94 40.43 1.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.406 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -111.01 99.91 8.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.774 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.711 ' H ' HD12 ' A' ' 33' ' ' ILE . 1.2 mp -39.92 -43.01 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.677 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.598 ' H ' ' CD ' ' A' ' 34' ' ' GLU . 24.5 mp0 -55.42 -58.9 5.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.232 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.477 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 11.6 mt -58.59 -50.33 74.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.089 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 68.8 mt -50.42 -44.62 55.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.52 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.43 -49.22 74.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.582 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.0 -43.39 98.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.516 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.477 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 60.5 m -58.78 -51.78 68.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.381 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.1 mtp-105 -60.03 -38.17 81.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.393 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -58.23 -57.95 10.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.771 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.474 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.8 pt-20 -63.16 -35.64 80.98 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.652 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CD1' HD13 ' B' ' 173' ' ' LEU . 3.5 t80 -58.88 -41.56 87.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.205 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -71.21 -53.55 14.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.471 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 -45.85 -50.04 14.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.379 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 70.8 mtt-85 -50.35 -40.19 48.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.476 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 56.6 mt -74.13 -36.26 64.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.512 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -78.78 -76.42 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.541 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 49' ' ' VAL . 11.7 p -95.08 132.19 39.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.568 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -166.17 61.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.535 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.572 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.521 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -88.71 114.12 24.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.524 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 20.3 pt -104.06 149.18 8.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.621 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -101.18 145.73 28.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.515 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 44.7 t -126.05 107.42 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.031 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -96.72 124.38 40.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.747 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 41.3 p -86.32 -160.34 0.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.437 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.937 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.5 OUTLIER -83.76 -34.12 24.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.351 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 5.0 p -78.96 4.32 14.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.526 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.48 21.02 60.92 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -81.8 112.7 19.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.765 0.317 . . . . 0.0 110.612 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 6.8 m -95.69 135.65 37.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.504 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 3.5 mt -132.64 129.59 58.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.64 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 4.5 m -95.83 125.44 40.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.432 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 27.5 mt -131.59 133.62 45.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.691 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -79.4 123.43 27.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.319 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 117' ' ' VAL . . . . . 0.521 ' O ' ' N ' ' B' ' 101' ' ' MET . 6.4 m -147.12 -179.74 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.951 0.405 . . . . 0.0 110.778 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.582 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 81.5 mt-10 -136.53 150.43 70.36 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.904 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.3 -25.86 3.49 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.537 2.158 . . . . 0.0 112.44 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.4 p -90.06 11.45 20.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.127 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 121' ' ' ASP . . . . . 0.582 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 6.5 m-20 -83.48 133.98 34.87 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.272 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 122' ' ' THR . . . . . 0.448 ' O ' ' N ' ' B' ' 125' ' ' ASN . 8.1 p -84.27 135.09 34.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.829 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 28.8 mm -43.27 -43.14 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.133 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -56.49 -39.24 72.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.022 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 125' ' ' ASN . . . . . 0.5 ' OD1' ' NZ ' ' B' ' 129' ' ' LYS . 36.2 t-20 -62.99 -37.91 89.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.869 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 16.0 t -64.74 -55.21 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.946 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -47.51 -39.03 15.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.212 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.38 91.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.397 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.5 ' NZ ' ' OD1' ' B' ' 125' ' ' ASN . 60.4 mttp -57.96 -42.49 85.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.433 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 4.7 mt -64.07 -48.82 84.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.376 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 131' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.8 OUTLIER -54.08 -26.85 29.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.378 179.847 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -80.31 -29.8 38.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.449 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -80.13 -66.28 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.513 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -81.22 -108.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.627 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -169.37 9.63 0.05 OUTLIER Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.418 ' O ' ' OE1' ' B' ' 141' ' ' GLN . 21.5 mt -80.66 115.47 55.6 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -62.4 153.2 72.33 Favored 'Trans proline' 0 C--N 1.315 -1.186 0 C-N-CA 121.448 1.432 . . . . 0.0 111.612 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.5 Cg_endo -47.86 -67.89 0.1 Allowed 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.515 2.143 . . . . 0.0 112.058 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -43.97 -23.1 0.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.181 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -99.64 28.81 4.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.916 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' B' ' 138' ' ' PRO . 21.7 mt-30 -134.62 145.27 48.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.943 0.401 . . . . 0.0 110.787 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.601 HH12 ' ND2' ' A' ' 28' ' ' ASN . 8.0 ttt180 -150.52 114.22 4.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.961 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.0 mt -91.01 134.79 34.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.224 0.535 . . . . 0.0 111.301 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 144' ' ' ILE . . . . . 0.441 ' CG2' ' SG ' ' A' ' 31' ' ' CYS . 2.6 mt -131.02 134.85 61.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.048 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 145' ' ' PHE . . . . . 0.521 ' CD1' ' O ' ' B' ' 166' ' ' THR . 43.6 t80 -150.83 161.98 41.63 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.75 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 41.77 29.39 0.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.759 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 66.48 37.46 92.68 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 148' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' B' ' 145' ' ' PHE . 24.5 mtpp -145.73 136.61 24.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.804 0.335 . . . . 0.0 110.586 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 149' ' ' GLN . . . . . 0.579 ' NE2' ' NE ' ' B' ' 142' ' ' ARG . 18.7 tt0 -79.56 124.62 28.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.139 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 10.0 mt -81.23 126.74 31.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.357 . . . . 0.0 110.768 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 151' ' ' GLU . . . . . 0.501 ' CD ' HD22 ' C' ' 260' ' ' ASN . 11.8 mm-40 -73.54 161.35 30.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.538 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.13 -27.0 39.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -97.35 41.15 2.37 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.286 -0.725 . . . . 0.0 111.286 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -139.64 171.91 13.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 25.3 p -114.81 163.97 14.75 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.876 0.369 . . . . 0.0 110.793 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 90.2 mt -59.9 -38.03 81.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.651 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 157' ' ' SER . . . . . 0.48 ' C ' ' H ' ' B' ' 159' ' ' TYR . 54.7 p -62.18 -32.15 72.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.692 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -71.95 15.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.753 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 159' ' ' TYR . . . . . 0.48 ' H ' ' C ' ' B' ' 157' ' ' SER . 52.3 m-85 -140.61 7.42 2.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.543 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 64.9 t30 61.25 24.71 14.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.763 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 96.7 mt -78.15 104.21 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.462 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -81.9 -159.04 0.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.749 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -85.73 158.64 19.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.763 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 55.67 28.6 12.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.803 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 19.7 m -93.85 134.72 35.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.523 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 166' ' ' THR . . . . . 0.521 ' O ' ' CD1' ' B' ' 145' ' ' PHE . 5.9 m -78.18 156.37 29.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.407 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.1 mt -140.07 114.21 9.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.251 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 168' ' ' HIS . . . . . 0.69 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -70.07 102.65 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.172 -179.863 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 42.8 tp -87.28 132.57 33.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.354 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.5 t -127.46 142.54 43.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.377 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.561 ' N ' HD12 ' B' ' 171' ' ' LEU . 8.7 mp -79.49 97.12 6.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.437 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 172' ' ' ARG . . . . . 0.724 ' HE ' HH12 ' A' ' 24' ' ' ARG . 0.0 OUTLIER -60.13 94.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.304 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 173' ' ' LEU . . . . . 0.465 HD13 ' CD1' ' A' ' 43' ' ' PHE . 23.9 mt -61.57 128.06 34.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.591 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 12.7 ttt85 53.31 -137.36 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.484 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 152.95 40.0 0.02 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.676 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 201' ' ' MET . . . . . 0.751 ' SD ' HG23 ' C' ' 203' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -156.54 94.16 1.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.468 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 203' ' ' ILE . . . . . 0.751 HG23 ' SD ' ' C' ' 201' ' ' MET . 7.3 pt -104.14 149.7 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.768 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -103.58 143.88 32.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.488 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 45.3 t -127.66 116.55 43.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.637 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -97.56 129.5 44.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.554 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 32.2 p -88.11 -149.67 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.385 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 208' ' ' LEU . . . . . 0.917 HD22 ' H ' ' C' ' 208' ' ' LEU . 0.7 OUTLIER -82.99 -54.58 4.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.386 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 73.3 p -63.76 2.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.647 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 210' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' C' ' 208' ' ' LEU . . . 83.71 21.37 58.02 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -77.92 116.61 18.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.447 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 6.0 m -91.12 145.32 24.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.568 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 2.9 mt -140.0 127.04 23.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.484 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 6.2 m -91.88 126.63 37.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.238 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 30.9 mt -129.88 140.44 50.98 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.884 0.373 . . . . 0.0 110.845 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -91.87 128.09 37.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.146 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 217' ' ' VAL . . . . . 0.507 ' CG2' ' SD ' ' C' ' 201' ' ' MET . 17.2 m -148.65 -159.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.06 0.457 . . . . 0.0 110.882 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 218' ' ' GLU . . . . . 0.501 ' C ' ' H ' ' C' ' 220' ' ' SER . 42.7 mt-10 -151.35 146.5 19.05 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.823 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -50.34 -4.68 0.06 OUTLIER 'Trans proline' 0 C--N 1.309 -1.532 0 C-N-CA 122.357 2.038 . . . . 0.0 112.448 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 220' ' ' SER . . . . . 0.501 ' H ' ' C ' ' C' ' 218' ' ' GLU . 1.7 p -109.72 9.54 24.87 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.662 0.268 . . . . 0.0 110.949 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 221' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -82.69 138.08 34.23 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.367 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 222' ' ' THR . . . . . 0.431 ' O ' ' N ' ' C' ' 225' ' ' ASN . 5.0 p -84.17 133.97 34.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.785 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 27.6 mm -43.6 -40.4 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.254 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -58.77 -39.61 81.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.296 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 225' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' C' ' 222' ' ' THR . 29.2 t-20 -64.14 -40.15 95.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.089 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 21.0 t -63.1 -49.06 84.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.005 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 227' ' ' LYS . . . . . 0.407 ' CA ' HE22 ' C' ' 241' ' ' GLN . 83.3 mttt -52.84 -39.7 62.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.156 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.15 -42.39 99.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.26 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -59.11 -42.54 90.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.256 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 8.7 mt -65.97 -33.97 67.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.242 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -66.07 -27.37 68.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.293 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -82.24 -26.36 33.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.66 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 45.0 mmtt -84.6 -64.56 1.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.619 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -82.27 -106.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.699 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -176.17 20.2 0.05 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 236' ' ' ILE . . . . . 0.445 ' O ' ' OE1' ' C' ' 241' ' ' GLN . 23.3 mt -98.34 110.06 54.91 Favored Pre-proline 0 C--N 1.331 -0.236 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -64.53 152.96 79.66 Favored 'Trans proline' 0 N--CA 1.489 1.233 0 C-N-CA 121.524 1.483 . . . . 0.0 111.721 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 238' ' ' PRO . . . . . 0.517 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.8 Cg_endo -47.41 -63.57 0.31 Allowed 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.58 2.187 . . . . 0.0 111.947 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -43.47 -19.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.615 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 240' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' C' ' 238' ' ' PRO . 29.6 mt-30 -110.18 33.97 4.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.54 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 241' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' C' ' 238' ' ' PRO . 32.9 mt-30 -134.44 162.67 31.59 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.997 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 242' ' ' ARG . . . . . 0.716 HH22 ' HE ' ' C' ' 272' ' ' ARG . 5.3 mtt85 -162.56 98.12 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.852 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 12.8 mt -82.1 127.63 33.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.044 0.45 . . . . 0.0 111.08 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 244' ' ' ILE . . . . . 0.523 HG22 ' SG ' ' D' ' 331' ' ' CYS . 1.6 mt -128.75 125.21 62.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.129 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 245' ' ' PHE . . . . . 0.524 ' CE1' ' OD2' ' A' ' 25' ' ' ASP . 82.6 t80 -115.79 74.37 0.89 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.031 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 246' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' C' ' 245' ' ' PHE . . . 70.57 88.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 247' ' ' GLY . . . . . 0.633 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 42.84 26.97 0.51 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.134 -0.787 . . . . 0.0 111.134 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 21.7 mmtm -131.58 95.39 3.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.723 0.297 . . . . 0.0 110.54 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -71.86 120.89 18.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.084 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 12.0 mt -80.01 131.13 35.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.798 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -77.69 160.76 28.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.487 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 252' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' C' ' 252' ' ' ASP . 0.3 OUTLIER -81.81 -28.95 32.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.806 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -96.84 39.85 2.7 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 26.1 mmt-85 -139.67 171.54 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 30.1 p -113.61 166.07 11.89 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.878 0.371 . . . . 0.0 110.685 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 50.1 mt -60.22 -40.94 91.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.706 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 257' ' ' SER . . . . . 0.493 ' C ' ' H ' ' C' ' 259' ' ' TYR . 5.0 t -56.22 -33.75 65.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -71.6 16.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.701 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 259' ' ' TYR . . . . . 0.493 ' H ' ' C ' ' C' ' 257' ' ' SER . 63.8 m-85 -140.61 6.59 2.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.555 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 260' ' ' ASN . . . . . 0.501 HD22 ' CD ' ' B' ' 151' ' ' GLU . 4.9 m-20 58.58 27.96 16.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.739 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 87.1 mt -79.03 102.7 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.511 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 262' ' ' GLN . . . . . 0.689 HE22 HH22 ' A' ' 24' ' ' ARG . 29.0 mt-30 -80.17 -163.84 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.68 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -83.51 157.29 22.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.756 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 60.76 21.31 11.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.718 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 30.2 m -85.99 137.33 32.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.585 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 7.0 m -86.45 157.63 19.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.418 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 7.5 mt -139.01 149.87 45.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.303 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 268' ' ' HIS . . . . . 0.624 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -107.16 95.99 6.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.518 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 40.7 tp -82.34 131.54 35.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.455 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 270' ' ' VAL . . . . . 0.458 HG22 HD13 ' D' ' 336' ' ' LEU . 4.9 t -123.18 147.38 27.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.807 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 271' ' ' LEU . . . . . 0.433 ' CB ' ' NH1' ' D' ' 340' ' ' ARG . 0.5 OUTLIER -81.44 97.83 7.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.086 179.641 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 272' ' ' ARG . . . . . 0.716 ' HE ' HH22 ' C' ' 242' ' ' ARG . 68.3 ttt180 -62.69 117.2 5.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.622 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 273' ' ' LEU . . . . . 0.492 HD13 ' CD1' ' D' ' 343' ' ' PHE . 11.0 mt -88.57 -178.31 5.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.59 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 274' ' ' ARG . . . . . 0.415 ' C ' ' H ' ' C' ' 276' ' ' CYS . 32.2 mtt-85 -67.36 85.12 0.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.55 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . -76.31 17.32 4.14 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 276' ' ' CYS . . . . . 0.415 ' H ' ' C ' ' C' ' 274' ' ' ARG . 21.6 t . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.566 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.637 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 12.6 t -156.21 -158.02 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.01 0.433 . . . . 0.0 110.407 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 311' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -122.09 112.72 18.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.535 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 312' ' ' LYS . . . . . 0.532 ' CD ' ' N ' ' D' ' 312' ' ' LYS . 3.0 mptp? -70.0 -169.34 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.502 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -135.39 148.53 49.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.437 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.91 92.89 4.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.655 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 18.8 mt -99.12 32.7 2.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.464 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 13.2 t -79.25 2.28 21.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.683 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 317' ' ' LYS . . . . . 0.498 ' CB ' ' NZ ' ' D' ' 317' ' ' LYS . 5.3 mtmp? -139.0 63.0 1.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.714 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -128.09 163.22 25.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.41 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -103.79 160.26 14.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.656 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -58.44 -51.38 70.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.607 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.64 95.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.742 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -53.35 -49.31 67.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.62 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.522 HD21 ' CD ' ' D' ' 342' ' ' GLU . 13.0 mt -62.65 -56.95 13.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.589 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 324' ' ' ARG . . . . . 0.679 ' NH2' HH21 ' C' ' 242' ' ' ARG . 10.0 tpt85 -53.05 -48.09 67.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.524 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 325' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' D' ' 329' ' ' THR . 1.1 m-20 -58.89 -49.78 76.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.401 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 326' ' ' THR . . . . . 0.507 ' O ' ' N ' ' D' ' 330' ' ' SER . 93.8 m -51.59 -43.94 62.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.497 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 90.6 mt -71.83 -29.1 32.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.517 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 328' ' ' ASN . . . . . 0.517 HD21 ' CZ ' ' D' ' 324' ' ' ARG . 42.0 m-80 -96.99 2.42 51.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.524 ' N ' ' O ' ' D' ' 325' ' ' ASP . 75.8 p -131.87 -17.14 2.83 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.966 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 330' ' ' SER . . . . . 0.507 ' N ' ' O ' ' D' ' 326' ' ' THR . 1.6 t -111.44 165.75 11.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.97 0.414 . . . . 0.0 110.913 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 331' ' ' CYS . . . . . 0.633 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 29.4 t -134.8 25.48 3.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.344 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 332' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' D' ' 333' ' ' ILE . 11.6 m-20 -87.66 91.61 8.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.331 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 333' ' ' ILE . . . . . 0.701 ' HA ' HD12 ' D' ' 336' ' ' LEU . 3.2 mt -38.66 -38.57 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.731 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 334' ' ' GLU . . . . . 0.626 ' CD ' ' H ' ' D' ' 334' ' ' GLU . 3.6 mp0 -58.46 -58.92 6.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.272 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 335' ' ' LEU . . . . . 0.485 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 11.9 mt -58.01 -43.02 86.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.047 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 336' ' ' LEU . . . . . 0.701 HD12 ' HA ' ' D' ' 333' ' ' ILE . 77.0 mt -52.73 -44.78 66.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.447 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -66.44 -49.22 67.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.276 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -60.61 -41.34 94.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.249 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 339' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 76.4 m -61.83 -53.81 50.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.083 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 340' ' ' ARG . . . . . 0.498 ' O ' ' CD2' ' D' ' 344' ' ' HIS . 10.4 mtp85 -53.09 -40.28 63.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.185 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -59.46 -61.05 2.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.632 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 342' ' ' GLU . . . . . 0.522 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.6 pt-20 -62.51 -36.54 82.88 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.417 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 343' ' ' PHE . . . . . 0.492 ' CD1' HD13 ' C' ' 273' ' ' LEU . 10.6 t80 -63.66 -33.38 75.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.063 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 344' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' D' ' 340' ' ' ARG . 37.3 m170 -73.69 -45.57 51.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.433 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 62.0 mtp85 -58.63 -43.77 89.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.561 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 346' ' ' ARG . . . . . 0.432 ' O ' ' CG2' ' D' ' 349' ' ' VAL . 14.2 mtp85 -62.24 -38.68 90.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.807 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -78.02 -56.78 4.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.41 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -57.25 -59.65 4.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.733 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 349' ' ' VAL . . . . . 0.445 HG12 ' N ' ' D' ' 350' ' ' TYR . 13.0 t 58.98 160.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.505 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 350' ' ' TYR . . . . . 0.445 ' N ' HG12 ' D' ' 349' ' ' VAL . 21.0 p90 -141.32 42.47 1.77 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.57 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 351' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.515 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.633 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.1 m -75.68 54.49 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.836 0.35 . . . . 0.0 110.536 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -82.97 -163.22 0.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -100.5 -177.11 3.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.485 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -92.9 130.28 38.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.543 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -79.62 92.95 5.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.503 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.5 mt -95.6 37.01 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.595 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.3 p -86.31 18.47 3.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.673 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.6 mttp -147.2 40.88 1.06 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.619 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -110.38 168.98 9.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.514 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -123.86 155.38 38.14 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.371 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.519 ' OH ' ' N ' ' B' ' 176' ' ' GLY . 54.7 t80 -45.45 -54.32 7.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.581 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.64 -50.0 66.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.748 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -53.62 -58.27 7.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.799 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.55 HD21 ' CD ' ' A' ' 42' ' ' GLU . 14.0 mt -57.25 -57.06 14.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.784 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.435 ' NH1' ' OH ' ' A' ' 20' ' ' TYR . 5.1 tpt180 -53.05 -44.98 67.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.632 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 29' ' ' THR . 12.8 m-20 -60.86 -49.52 77.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.451 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.475 ' O ' ' CB ' ' A' ' 30' ' ' SER . 26.3 m -55.31 -41.42 72.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.556 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.7 mt -77.02 -22.51 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.667 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -96.7 -4.95 39.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.138 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 25' ' ' ASP . 41.3 p -131.05 -36.34 1.33 Allowed 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.011 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 26' ' ' THR . 0.4 OUTLIER -86.95 155.96 19.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.987 0.422 . . . . 0.0 111.134 -179.501 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.566 ' SG ' ' CG ' ' B' ' 168' ' ' HIS . 33.4 t -128.47 30.25 5.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.217 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 33' ' ' ILE . 6.7 m-20 -91.58 92.71 8.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.455 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.656 ' HA ' HD12 ' A' ' 36' ' ' LEU . 2.6 mt -38.64 -41.31 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.882 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -56.07 -58.87 6.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.265 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.6 mt -58.78 -46.03 88.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.031 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 33' ' ' ILE . 62.0 mt -50.43 -45.01 55.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.177 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.29 -49.12 73.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.259 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.35 -42.66 92.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.26 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 72.6 m -62.66 -53.54 52.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.134 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.3 mtp85 -52.85 -38.67 61.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.155 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.37 -60.82 3.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.711 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.55 ' CD ' HD21 ' A' ' 23' ' ' LEU . 4.1 pt-20 -62.53 -36.37 82.37 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.696 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.515 ' CD1' HD13 ' B' ' 173' ' ' LEU . 13.1 t80 -60.44 -41.4 93.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.405 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -74.31 -55.24 6.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.48 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.422 ' O ' HG12 ' A' ' 49' ' ' VAL . 88.9 mtt180 -45.88 -44.07 14.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.496 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 64.1 mtt-85 -55.04 -28.06 49.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.483 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.8 mt -93.43 -53.71 3.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.544 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.466 ' C ' ' H ' ' A' ' 50' ' ' TYR . 78.2 tttt -51.78 -39.78 59.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.666 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 49' ' ' VAL . 7.6 p -62.86 0.38 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.498 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.466 ' H ' ' C ' ' A' ' 48' ' ' LYS . 39.1 t80 -113.1 44.5 1.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.531 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.522 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 12.8 t-80 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.534 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.546 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -83.75 113.94 21.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.414 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 17.7 pt -103.99 142.39 17.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.691 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -95.67 129.91 42.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.636 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.446 HG23 HD23 ' B' ' 115' ' ' LEU . 94.7 t -112.68 108.62 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.028 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -82.26 130.35 35.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.752 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 66.6 p -98.5 -178.11 3.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.365 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.923 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.7 OUTLIER -81.32 -26.63 35.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.383 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 7.3 p -81.52 7.4 12.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.52 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.02 1.33 89.89 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -84.24 125.67 32.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.815 0.341 . . . . 0.0 110.613 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.6 m -101.37 150.45 23.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.353 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 5.9 mt -132.75 132.65 59.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.565 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 114' ' ' THR . . . . . 0.508 ' C ' HD22 ' B' ' 115' ' ' LEU . 8.8 m -98.42 105.82 18.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.573 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.838 HD22 ' N ' ' B' ' 115' ' ' LEU . 2.0 mm? -102.25 129.18 48.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.636 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -82.95 118.96 23.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.782 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 117' ' ' VAL . . . . . 0.546 ' O ' ' N ' ' B' ' 101' ' ' MET . 11.5 m -146.28 -159.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.218 0.532 . . . . 0.0 111.293 -179.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.637 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 2.2 mt-10 -150.5 170.97 6.94 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 119' ' ' PRO . . . . . 0.415 ' O ' ' OG ' ' B' ' 157' ' ' SER . 3.5 Cg_exo -71.37 -4.82 15.72 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.121 1.881 . . . . 0.0 112.397 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.9 p -109.16 3.4 21.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.738 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 121' ' ' ASP . . . . . 0.637 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 0.4 OUTLIER -77.27 139.15 39.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.416 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 18.7 p -84.96 137.36 33.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.933 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 25.9 mm -45.55 -50.01 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.265 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -49.46 -40.36 36.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.257 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -62.92 -40.77 98.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.085 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 42.5 t -62.43 -42.96 97.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.04 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 127' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' B' ' 141' ' ' GLN . 85.5 mttt -58.52 -37.88 76.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.307 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.87 -43.62 92.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.344 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -59.46 -51.52 69.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.433 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 69.3 mt -56.46 -46.79 82.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.345 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 131' ' ' GLN . . . . . 0.579 ' NE2' ' O ' ' B' ' 131' ' ' GLN . 1.4 tm0? -53.99 -32.26 53.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.123 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -70.23 -38.39 75.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.348 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -71.26 -62.92 1.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.216 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -82.55 -116.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.603 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -165.08 9.51 0.07 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 53.3 mt -79.86 117.02 65.25 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.57 152.57 67.5 Favored 'Trans proline' 0 C--N 1.314 -1.264 0 C-N-CA 121.475 1.45 . . . . 0.0 111.56 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.492 ' O ' ' N ' ' B' ' 140' ' ' GLN . 2.7 Cg_endo -47.03 -67.78 0.11 Allowed 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.567 2.178 . . . . 0.0 112.013 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.1 -21.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' B' ' 138' ' ' PRO . 79.3 mt-30 -105.36 34.21 3.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.774 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' B' ' 138' ' ' PRO . 63.8 mt-30 -134.54 96.81 3.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.894 0.378 . . . . 0.0 110.673 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.529 HH11 ' CD ' ' B' ' 149' ' ' GLN . 29.7 ttm-85 -101.62 112.57 25.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.248 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 15.5 mt -92.62 132.31 36.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.722 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 144' ' ' ILE . . . . . 0.475 HG22 ' SG ' ' A' ' 31' ' ' CYS . 1.6 mt -127.3 143.66 39.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.457 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 145' ' ' PHE . . . . . 0.422 ' O ' ' HB3' ' B' ' 146' ' ' ALA . 60.7 t80 -149.17 105.41 3.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.713 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 146' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' B' ' 145' ' ' PHE . . . 65.56 70.57 0.44 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.78 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 39.9 44.82 2.79 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -150.07 120.15 7.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.837 0.351 . . . . 0.0 110.652 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 149' ' ' GLN . . . . . 0.529 ' CD ' HH11 ' B' ' 142' ' ' ARG . 8.0 tt0 -80.45 124.33 28.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.988 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 10.3 mt -75.98 139.37 41.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.952 0.406 . . . . 0.0 110.847 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -79.32 160.44 26.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.626 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.11 -24.13 24.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.719 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -100.42 40.65 2.36 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -139.52 172.5 12.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.702 0.287 . . . . 0.0 110.373 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 11.6 p -109.86 168.33 9.5 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.738 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 156' ' ' LEU . . . . . 0.435 ' CD1' HG21 ' B' ' 117' ' ' VAL . 81.9 mt -65.33 -35.8 82.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.744 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 157' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' B' ' 119' ' ' PRO . 5.0 p -60.42 -44.38 95.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.601 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -48.3 -39.91 23.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.689 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -90.42 21.15 4.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.54 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 45.13 33.39 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 80.8 mt -80.12 110.82 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.37 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -82.57 -161.46 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.73 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -85.71 156.05 20.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 57.26 31.64 20.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.903 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 70.4 m -81.64 140.51 34.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.52 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 5.4 m -91.75 96.07 10.22 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.493 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.2 mt -85.68 124.53 32.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.654 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 168' ' ' HIS . . . . . 0.583 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.4 OUTLIER -79.35 100.46 7.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.383 179.761 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 64.0 tp -81.68 145.33 30.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 0.0 110.749 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 170' ' ' VAL . . . . . 0.4 ' CG2' HD13 ' A' ' 36' ' ' LEU . 2.6 t -145.35 154.99 13.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.198 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.599 ' N ' HD12 ' B' ' 171' ' ' LEU . 7.6 mp -94.09 106.34 18.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.441 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -59.17 106.83 0.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.561 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 173' ' ' LEU . . . . . 0.515 HD13 ' CD1' ' A' ' 43' ' ' PHE . 17.5 mt -81.31 103.9 11.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.478 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 16.0 ptt-85 -44.05 143.37 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.736 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 155.0 -154.87 25.83 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 176' ' ' GLY . . . . . 0.519 ' N ' ' OH ' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 201' ' ' MET . . . . . 0.522 ' N ' ' O ' ' C' ' 217' ' ' VAL . 26.6 ttp . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 202' ' ' GLN . . . . . 0.609 ' NE2' ' N ' ' C' ' 202' ' ' GLN . 0.4 OUTLIER -68.92 130.51 42.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.485 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 11.9 pt -136.05 142.14 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.345 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -94.03 138.55 31.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.784 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 31.9 t -121.89 105.19 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.998 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -82.0 157.05 24.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.681 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 23.7 p -125.88 -174.71 3.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.442 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 208' ' ' LEU . . . . . 0.895 HD22 ' H ' ' C' ' 208' ' ' LEU . 0.8 OUTLIER -79.86 -25.01 40.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.399 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 8.9 p -82.52 2.8 31.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.581 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 84.62 3.84 88.0 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -76.15 162.31 28.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.732 0.301 . . . . 0.0 110.546 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 9.8 m -138.31 151.76 47.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.529 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -138.25 132.86 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.895 0.379 . . . . 0.0 110.646 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 63.8 m -99.24 98.09 9.1 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.42 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 215' ' ' LEU . . . . . 0.517 ' N ' HD12 ' C' ' 215' ' ' LEU . 10.7 mp -99.02 136.79 38.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.711 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -93.38 123.8 36.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.09 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 217' ' ' VAL . . . . . 0.522 ' O ' ' N ' ' C' ' 201' ' ' MET . 27.0 m -148.7 -161.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.929 0.395 . . . . 0.0 110.977 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 218' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -139.46 176.52 2.53 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.69 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.16 -26.9 10.22 Favored 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.463 2.108 . . . . 0.0 112.294 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 3.0 p -82.51 -27.04 31.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.821 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 221' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -44.66 135.1 5.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.64 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 60.5 p -85.74 143.84 28.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.82 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 19.9 mm -46.47 -58.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.488 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -44.5 -38.1 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.54 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 225' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -65.48 -41.43 93.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.139 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 42.3 t -61.99 -51.99 65.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.979 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -52.7 -32.03 40.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.962 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -68.17 -41.13 81.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.195 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -62.71 -42.27 99.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.267 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 60.4 mt -64.3 -46.48 93.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.232 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 231' ' ' GLN . . . . . 0.575 ' NE2' ' O ' ' C' ' 231' ' ' GLN . 1.0 OUTLIER -56.09 -31.66 63.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.378 179.802 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -75.96 -25.32 55.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.463 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 18.9 mmtm -80.58 -62.25 1.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.513 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -87.56 -108.06 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.56 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -171.93 28.23 0.1 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 236' ' ' ILE . . . . . 0.428 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 38.6 mt -95.48 111.91 57.01 Favored Pre-proline 0 C--N 1.329 -0.294 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -64.26 147.91 91.07 Favored 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 121.517 1.478 . . . . 0.0 111.399 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -48.59 -50.6 12.02 Favored 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 122.196 1.93 . . . . 0.0 111.863 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -53.24 -15.9 1.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.559 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 240' ' ' GLN . . . . . 0.57 HE22 ' H ' ' C' ' 274' ' ' ARG . 36.4 mm-40 -118.47 42.82 2.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.459 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 241' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 67.0 mt-30 -134.51 156.42 48.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.464 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 242' ' ' ARG . . . . . 0.609 HH22 ' NE ' ' C' ' 272' ' ' ARG . 0.2 OUTLIER -166.62 105.04 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.979 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 243' ' ' LEU . . . . . 0.54 ' N ' HD12 ' C' ' 243' ' ' LEU . 6.6 mp -90.3 128.37 36.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.119 0.485 . . . . 0.0 111.183 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.8 mt -125.53 120.02 56.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.283 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 245' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -109.74 71.4 0.76 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.847 0.356 . . . . 0.0 110.909 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 61.18 86.63 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.727 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 247' ' ' GLY . . . . . 0.707 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 56.39 32.31 60.58 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -138.84 88.15 2.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 110.611 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 249' ' ' GLN . . . . . 0.567 ' CD ' ' HE ' ' C' ' 242' ' ' ARG . 12.1 tt0 -74.49 85.88 2.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.026 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 8.9 mt -43.65 137.08 3.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -89.66 158.34 17.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.226 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.85 -1.39 43.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.846 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 253' ' ' GLY . . . . . 0.482 ' O ' ' NE ' ' C' ' 254' ' ' ARG . . . -122.98 37.64 2.74 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 254' ' ' ARG . . . . . 0.482 ' NE ' ' O ' ' C' ' 253' ' ' GLY . 0.0 OUTLIER -134.82 -174.77 3.69 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 255' ' ' THR . . . . . 0.46 ' C ' ' H ' ' C' ' 257' ' ' SER . 41.6 p -127.33 157.17 40.62 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.635 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 256' ' ' LEU . . . . . 0.419 ' CD1' HG21 ' C' ' 217' ' ' VAL . 96.0 mt -58.81 -3.99 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.553 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 257' ' ' SER . . . . . 0.46 ' H ' ' C ' ' C' ' 255' ' ' THR . 11.4 t -94.39 -27.85 15.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.654 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -73.31 12.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.622 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 259' ' ' TYR . . . . . 0.431 ' H ' ' C ' ' C' ' 257' ' ' SER . 69.2 m-85 -140.57 5.78 2.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.521 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 57.12 32.43 21.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.693 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 85.0 mt -77.02 95.83 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.449 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -76.19 -157.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.767 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 10.2 pttm -84.65 160.9 20.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.786 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 56.96 31.51 19.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.804 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 47.7 m -86.66 133.61 33.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.569 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 10.7 m -90.48 101.19 13.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.434 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 10.5 mt -89.03 121.95 31.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.641 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 268' ' ' HIS . . . . . 0.66 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.1 OUTLIER -77.2 99.16 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.913 179.563 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 51.6 tp -79.27 133.8 36.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.865 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 270' ' ' VAL . . . . . 0.438 ' C ' HD22 ' C' ' 271' ' ' LEU . 2.2 t -137.31 164.69 28.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.128 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 271' ' ' LEU . . . . . 0.904 ' N ' HD22 ' C' ' 271' ' ' LEU . 1.1 mm? -104.37 116.29 31.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.42 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 272' ' ' ARG . . . . . 0.609 ' NE ' HH22 ' C' ' 242' ' ' ARG . 48.7 ttt180 -69.97 71.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.459 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 273' ' ' LEU . . . . . 0.429 HD21 HH21 ' D' ' 340' ' ' ARG . 48.4 mt -43.14 118.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.552 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 274' ' ' ARG . . . . . 0.57 ' H ' HE22 ' C' ' 240' ' ' GLN . 25.3 ptt180 -67.09 163.93 19.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.547 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . -176.96 -111.98 0.3 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 15.8 t . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.496 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.573 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -157.03 84.07 0.94 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.845 0.355 . . . . 0.0 110.513 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 311' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' D' ' 312' ' ' LYS . 32.9 ttmt -82.32 56.81 3.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.551 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 312' ' ' LYS . . . . . 0.431 ' CD ' ' N ' ' D' ' 312' ' ' LYS . 0.7 OUTLIER 43.25 -168.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.574 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -134.75 140.86 46.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.551 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -81.95 92.98 6.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.605 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 14.6 mt -89.11 42.23 1.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.464 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 59.9 m -76.6 12.99 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.67 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 29.1 pttt -163.29 84.58 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.944 0.402 . . . . 0.0 110.687 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -138.91 164.76 28.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.267 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -106.93 163.02 13.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.606 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -66.15 -47.77 72.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.418 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 321' ' ' ALA . . . . . 0.425 ' O ' ' OD2' ' D' ' 325' ' ' ASP . . . -62.4 -35.26 78.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.519 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -67.05 -55.42 14.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.611 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.484 HD21 ' CD ' ' D' ' 342' ' ' GLU . 13.0 mt -54.76 -54.41 42.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.52 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 324' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.34 -50.22 67.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.467 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 325' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' D' ' 329' ' ' THR . 23.4 m-20 -59.23 -48.61 80.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.371 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 326' ' ' THR . . . . . 0.488 ' O ' ' N ' ' D' ' 330' ' ' SER . 8.4 m -51.78 -43.62 63.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.545 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 83.7 mt -76.47 -24.71 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.692 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 328' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -98.53 2.21 47.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.508 ' N ' ' O ' ' D' ' 325' ' ' ASP . 81.7 p -137.31 -41.66 0.57 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.684 0.278 . . . . 0.0 111.158 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 330' ' ' SER . . . . . 0.488 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.4 OUTLIER -77.79 169.75 17.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.032 0.444 . . . . 0.0 111.144 -179.321 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 331' ' ' CYS . . . . . 0.707 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 27.9 p -147.27 89.33 1.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.514 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -163.1 99.55 0.96 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.346 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 1.9 mt -38.78 -43.28 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.775 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -56.09 -58.97 5.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.314 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.92 -52.14 66.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.183 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 27.5 mt -50.41 -47.25 56.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.472 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -59.22 -49.16 78.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.427 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.37 -43.84 93.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.538 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 339' ' ' CYS . . . . . . . . . . . . . 94.7 m -58.49 -49.61 76.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.54 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 340' ' ' ARG . . . . . 0.593 ' NH2' ' NE2' ' D' ' 344' ' ' HIS . 19.4 mtp-105 -64.61 -35.17 80.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.511 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -59.26 -56.38 22.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.255 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 342' ' ' GLU . . . . . 0.484 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.8 pt-20 -63.14 -35.03 78.94 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.249 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -58.02 -55.85 29.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.087 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 344' ' ' HIS . . . . . 0.593 ' NE2' ' NH2' ' D' ' 340' ' ' ARG . 11.5 m-70 -58.78 -46.15 88.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.2 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 345' ' ' ARG . . . . . 0.52 ' O ' ' N ' ' D' ' 349' ' ' VAL . 0.0 OUTLIER -52.63 -40.13 62.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.106 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 10.1 mtp85 -66.35 -43.6 85.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.487 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 347' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' D' ' 347' ' ' LEU . 4.3 mm? -76.79 -23.08 52.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.199 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 348' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' D' ' 344' ' ' HIS . 48.0 mmtt -93.65 -21.81 19.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.452 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 349' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' D' ' 345' ' ' ARG . 6.2 t -134.2 112.58 16.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.524 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 350' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -79.53 56.19 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.591 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 351' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.536 -179.948 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.711 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.8 t -148.6 35.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.068 0.461 . . . . 0.0 110.428 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -167.99 101.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.467 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -71.65 -165.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.552 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -131.81 174.52 10.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.438 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -126.13 92.93 3.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.497 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.5 mt -97.1 44.6 1.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.476 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.0 p -85.38 11.62 9.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.9 pttp -165.53 82.69 0.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.641 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -130.24 175.91 8.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.288 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -117.64 163.82 15.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.646 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.474 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 15.6 t80 -62.12 -49.84 74.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.551 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.81 -44.17 96.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.703 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -56.15 -55.52 32.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.687 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.525 HD21 ' CD ' ' A' ' 42' ' ' GLU . 13.8 mt -57.75 -52.54 65.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.543 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.6 tpt85 -57.66 -42.71 84.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.438 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -64.21 -48.2 76.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.349 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.571 ' O ' ' N ' ' A' ' 30' ' ' SER . 25.7 m -54.28 -49.05 70.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.635 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.4 mt -71.58 -27.7 29.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.928 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.876 ' ND2' HH12 ' B' ' 142' ' ' ARG . 2.9 m-20 -87.41 -8.6 56.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.052 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 64.5 p -127.45 -49.39 1.41 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.66 0.267 . . . . 0.0 111.148 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 26' ' ' THR . 2.0 t -60.72 167.61 2.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.971 0.415 . . . . 0.0 110.958 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.4 m -144.26 36.87 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.376 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.51 100.6 9.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.6 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.4 mt -42.22 -34.15 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.509 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -63.21 -56.02 20.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.177 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.492 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 9.1 mt -60.91 -41.04 95.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.085 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.0 mt -57.01 -43.31 81.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.447 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.18 -49.2 68.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.508 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.41 -45.34 93.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.537 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 73.2 m -59.82 -50.52 73.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.357 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 -60.26 -34.8 74.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.498 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -63.09 -58.28 7.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.738 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.525 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.7 pt-20 -59.5 -36.81 76.77 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.692 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.27 -45.17 94.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.383 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 47' ' ' LEU . 17.0 m170 -72.72 -54.98 7.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.392 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 86.0 mtt-85 -45.76 -48.82 15.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.608 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 67.0 mtt-85 -61.34 -20.76 63.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.688 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 44' ' ' HIS . 85.7 mt -97.4 -32.7 11.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.667 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -77.91 -29.67 50.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.662 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.413 ' O ' HG13 ' A' ' 49' ' ' VAL . 7.2 p -41.93 128.69 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.591 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 17.3 t80 69.21 67.58 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.457 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.576 179.938 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.542 ' N ' ' O ' ' B' ' 117' ' ' VAL . 28.4 ttp . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' GLN . . . . . 0.404 ' N ' ' CG ' ' B' ' 101' ' ' MET . 34.1 tt0 -126.62 127.76 45.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.424 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.562 HD12 ' CD1' ' B' ' 167' ' ' LEU . 13.8 pt -127.37 151.94 34.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.682 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -102.99 147.72 26.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.567 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 22.5 t -128.34 106.99 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.344 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -97.22 128.58 44.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.439 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 24.5 p -88.65 -165.17 1.26 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.52 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.967 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.5 OUTLIER -83.08 -19.24 37.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 19.0 p -88.12 -5.47 58.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.497 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.01 9.32 62.41 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -79.71 122.7 26.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 110.486 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 19.2 m -99.81 144.91 28.33 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.621 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -133.71 123.8 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.396 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 114' ' ' THR . . . . . 0.403 ' C ' HD12 ' B' ' 115' ' ' LEU . 5.8 m -88.29 101.67 14.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.597 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.448 ' N ' HD12 ' B' ' 115' ' ' LEU . 11.1 mp -104.46 132.09 51.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.65 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -88.14 125.14 34.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.078 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 117' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' B' ' 101' ' ' MET . 11.7 m -147.16 -170.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.944 0.402 . . . . 0.0 110.886 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.431 ' N ' ' OD2' ' B' ' 121' ' ' ASP . 13.9 mp0 -139.2 146.94 51.22 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.892 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -47.18 -30.8 11.13 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 122.382 2.055 . . . . 0.0 112.454 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.5 p -87.19 18.17 3.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.193 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 121' ' ' ASP . . . . . 0.431 ' OD2' ' N ' ' B' ' 118' ' ' GLU . 55.9 m-20 -92.59 136.26 33.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 0.0 110.356 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 3.7 p -82.61 138.62 34.15 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.945 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 35.2 mm -46.71 -37.24 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.258 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -58.09 -46.81 84.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.039 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -60.06 -36.01 76.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.069 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 26.7 t -64.61 -46.7 91.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.165 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -55.64 -36.81 67.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.038 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.55 -40.48 89.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.239 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -60.86 -41.74 96.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.361 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 52.1 mt -66.63 -44.84 89.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.334 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 131' ' ' GLN . . . . . 0.403 ' OE1' ' C ' ' B' ' 131' ' ' GLN . 0.9 OUTLIER -55.5 -33.2 63.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.386 179.885 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -74.75 -35.42 62.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.492 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -70.35 -61.89 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -87.35 -106.0 0.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.531 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -173.71 9.45 0.03 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.416 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 42.7 mt -79.71 116.18 59.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.96 152.32 75.87 Favored 'Trans proline' 0 C--N 1.314 -1.251 0 C-N-CA 121.553 1.502 . . . . 0.0 111.588 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.478 ' O ' ' N ' ' B' ' 140' ' ' GLN . 2.6 Cg_endo -47.83 -62.52 0.43 Allowed 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.433 2.088 . . . . 0.0 111.885 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -44.83 -17.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.718 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' B' ' 138' ' ' PRO . 75.3 mt-30 -110.98 35.65 3.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.669 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' B' ' 138' ' ' PRO . 70.4 mt-30 -134.43 148.24 50.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.559 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.876 HH12 ' ND2' ' A' ' 28' ' ' ASN . 22.5 ttt180 -159.63 115.08 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.25 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.2 mt -95.51 138.26 33.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.6 mt -127.39 141.24 46.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.296 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -162.88 152.55 15.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.633 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 58.73 20.81 8.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.06 23.77 70.81 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -145.78 147.22 31.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.815 0.34 . . . . 0.0 110.778 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 149' ' ' GLN . . . . . 0.521 ' NE2' ' O ' ' B' ' 150' ' ' LEU . 3.1 tm0? -79.5 136.57 36.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.212 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.521 ' O ' ' NE2' ' B' ' 149' ' ' GLN . 11.7 mt -81.47 139.64 35.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.845 0.355 . . . . 0.0 110.891 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 151' ' ' GLU . . . . . 0.578 ' OE2' ' ND2' ' C' ' 260' ' ' ASN . 22.3 mm-40 -80.69 160.4 25.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.572 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 152' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' B' ' 152' ' ' ASP . 0.0 OUTLIER -86.6 -15.97 38.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.659 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -107.05 36.94 4.08 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 20.7 mmt-85 -139.71 169.13 18.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.671 0.272 . . . . 0.0 110.396 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 18.8 p -110.15 162.11 14.91 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.723 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 43.4 mt -60.24 -27.61 67.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.739 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 15.8 p -68.31 -42.56 79.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.798 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -52.73 -32.94 45.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.708 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -91.16 2.89 56.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.731 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 160' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' B' ' 160' ' ' ASN . 1.7 t30 62.15 26.65 16.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.666 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 71.1 mt -72.95 112.01 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.464 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -91.16 -169.03 2.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.612 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 163' ' ' ARG . . . . . 0.442 ' HD3' ' H ' ' B' ' 163' ' ' ARG . 0.0 OUTLIER -73.27 155.96 38.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.735 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 61.29 32.82 19.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.815 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 38.2 m -88.98 130.99 35.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.597 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 21.0 m -88.49 111.25 21.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.613 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 167' ' ' LEU . . . . . 0.562 ' CD1' HD12 ' B' ' 103' ' ' ILE . 4.9 mt -100.62 131.05 46.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.604 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 168' ' ' HIS . . . . . 0.667 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -84.86 112.95 21.0 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.817 0.341 . . . . 0.0 110.216 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 43.0 tp -89.93 131.46 35.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.416 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.27 140.33 43.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.324 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.637 ' N ' HD12 ' B' ' 171' ' ' LEU . 8.3 mp -77.05 104.56 7.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.527 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -63.04 95.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.516 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 173' ' ' LEU . . . . . 0.404 ' H ' ' HG ' ' B' ' 173' ' ' LEU . 29.1 mt -59.55 125.15 22.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.488 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 13.9 ttp-105 -44.4 139.85 2.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.579 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 167.6 124.2 0.71 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.637 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 201' ' ' MET . . . . . 0.537 ' N ' ' O ' ' C' ' 217' ' ' VAL . 31.7 ttp . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -67.49 123.74 21.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.625 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 17.9 pt -132.1 149.51 32.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.577 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -100.66 146.38 27.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.744 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 98.5 t -134.36 105.0 6.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.215 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -83.44 137.33 33.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.952 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 33.0 p -95.44 -167.29 1.59 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.425 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 208' ' ' LEU . . . . . 0.968 HD22 ' H ' ' C' ' 208' ' ' LEU . 0.3 OUTLIER -88.48 21.75 2.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.485 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 5.4 p -136.53 9.88 3.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.506 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 89.6 -31.41 5.23 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -46.16 135.14 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.347 . . . . 0.0 110.526 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 33.8 m -115.1 126.18 54.36 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.597 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 213' ' ' ILE . . . . . 0.408 HG21 HD13 ' C' ' 213' ' ' ILE . 1.5 mt -106.96 125.05 63.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.635 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 8.8 m -95.45 118.66 32.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.091 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 19.2 mt -128.35 136.31 50.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.941 0.401 . . . . 0.0 110.897 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -88.91 131.49 35.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.051 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 217' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' C' ' 201' ' ' MET . 33.4 m -149.37 -168.84 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 0.0 110.851 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 218' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -141.12 147.44 47.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.89 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.46 -28.38 8.59 Favored 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.406 2.071 . . . . 0.0 112.489 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.61 8.63 18.76 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.149 -179.478 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 221' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -83.23 135.24 34.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.809 0.338 . . . . 0.0 110.384 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 9.1 p -84.37 138.07 33.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.881 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 23.4 mm -45.42 -48.24 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.294 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -51.67 -37.74 51.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.117 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 225' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -64.79 -43.0 94.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.007 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 18.5 t -60.83 -38.31 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.926 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -62.02 -39.77 93.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.134 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -62.33 -44.97 95.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.131 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -59.47 -42.85 93.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.191 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 32.9 mt -64.24 -29.35 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.224 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -68.26 -41.21 81.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.141 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -67.91 -26.88 66.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.368 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm -80.14 -61.83 1.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.56 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -87.12 -99.48 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.588 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 172.98 13.05 0.02 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 236' ' ' ILE . . . . . 0.516 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 55.1 mt -82.93 129.01 63.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -55.77 145.78 70.04 Favored 'Trans proline' 0 N--CA 1.489 1.256 0 C-N-CA 121.621 1.547 . . . . 0.0 111.615 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -52.25 -32.77 52.15 Favored 'Trans proline' 0 C--N 1.311 -1.422 0 C-N-CA 122.108 1.872 . . . . 0.0 111.876 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 239' ' ' ASP . . . . . 0.482 ' C ' ' H ' ' C' ' 241' ' ' GLN . 2.5 m-20 -69.02 -52.3 30.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.71 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 240' ' ' GLN . . . . . 0.499 ' OE1' ' N ' ' C' ' 240' ' ' GLN . 1.7 mp0 -72.13 37.48 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.687 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 241' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 69.9 mt-30 -134.77 157.98 45.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.971 0.415 . . . . 0.0 110.821 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 242' ' ' ARG . . . . . 0.654 HH22 ' ND2' ' D' ' 328' ' ' ASN . 21.5 ttm180 -170.27 154.45 4.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.953 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 15.0 mt -129.73 142.98 50.61 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.143 0.497 . . . . 0.0 111.405 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.8 mt -128.67 134.57 64.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.823 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 245' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -119.51 74.08 0.99 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.858 0.361 . . . . 0.0 110.993 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 246' ' ' ALA . . . . . 0.653 ' H ' ' HE2' ' C' ' 268' ' ' HIS . . . 55.23 87.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.059 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 247' ' ' GLY . . . . . 0.71 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 55.8 38.43 73.38 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -150.96 91.68 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.704 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -71.18 122.99 21.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.054 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 9.2 mt -84.18 131.47 34.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 110.859 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -82.53 161.04 22.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.582 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.9 -22.26 56.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -103.56 41.48 2.12 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -139.62 175.19 9.78 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 31.1 p -117.72 165.53 13.51 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.701 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.17 -17.68 64.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.763 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 257' ' ' SER . . . . . 0.496 ' C ' ' H ' ' C' ' 259' ' ' TYR . 61.5 p -79.16 -30.6 43.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.625 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -69.82 13.21 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.582 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 259' ' ' TYR . . . . . 0.496 ' H ' ' C ' ' C' ' 257' ' ' SER . 82.3 m-85 -140.65 8.67 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.649 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 260' ' ' ASN . . . . . 0.578 ' ND2' ' OE2' ' B' ' 151' ' ' GLU . 3.8 m120 56.19 31.87 19.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.61 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 79.6 mt -79.6 95.36 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.512 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -77.79 -157.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.567 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -81.82 162.15 22.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.692 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 55.51 37.96 29.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.8 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 39.4 m -95.96 131.0 42.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.542 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 7.6 m -92.98 112.83 24.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.553 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 6.6 mt -103.65 150.05 24.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.585 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 268' ' ' HIS . . . . . 0.696 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.0 OUTLIER -98.52 113.54 25.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.134 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 269' ' ' LEU . . . . . 0.416 HD12 ' O ' ' C' ' 242' ' ' ARG . 35.7 tp -85.41 127.63 34.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.234 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 270' ' ' VAL . . . . . 0.627 HG13 ' CZ ' ' D' ' 340' ' ' ARG . 2.5 t -128.76 155.08 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.564 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 271' ' ' LEU . . . . . . . . . . . . . 12.9 mt -95.9 98.35 10.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.489 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -49.25 117.63 2.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.589 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 273' ' ' LEU . . . . . 0.508 HD13 ' CD1' ' D' ' 343' ' ' PHE . 20.5 mt -98.24 106.34 18.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.46 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -124.97 23.25 7.86 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.38 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 275' ' ' GLY . . . . . 0.415 ' O ' ' OXT' ' C' ' 276' ' ' CYS . . . 74.43 156.89 5.05 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 276' ' ' CYS . . . . . 0.415 ' OXT' ' O ' ' C' ' 275' ' ' GLY . 9.4 t . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.574 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.633 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 17.5 p -79.32 79.54 5.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.849 0.357 . . . . 0.0 110.571 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 311' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' D' ' 312' ' ' LYS . 86.2 mttt -82.62 88.4 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.629 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 312' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' D' ' 311' ' ' LYS . 1.0 OUTLIER 44.06 -171.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.596 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -103.47 134.75 46.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.475 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 314' ' ' ASP . . . . . 0.492 ' N ' ' OD1' ' D' ' 314' ' ' ASP . 17.1 p-10 -79.06 93.01 5.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.412 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 15.0 mt -110.84 39.95 2.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.585 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 81.2 p -96.05 18.74 12.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.792 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -138.86 3.68 2.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.774 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -75.47 -177.39 3.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.676 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -132.79 167.66 19.76 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.482 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 320' ' ' TYR . . . . . 0.46 ' C ' ' CD1' ' D' ' 320' ' ' TYR . 7.3 t80 -58.13 -48.17 81.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.662 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -59.52 -46.52 88.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.02 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -61.36 -53.74 52.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.105 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.563 HD21 ' CD ' ' D' ' 342' ' ' GLU . 16.3 mt -59.96 -52.55 64.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.041 -179.52 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 324' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -52.82 -44.8 66.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.453 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 325' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' D' ' 329' ' ' THR . 25.9 t70 -63.77 -48.04 78.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.344 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 326' ' ' THR . . . . . 0.52 ' O ' ' N ' ' D' ' 330' ' ' SER . 3.7 m -52.92 -41.51 64.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.565 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 327' ' ' ILE . . . . . 0.417 HD11 ' CB ' ' D' ' 339' ' ' CYS . 94.8 mt -75.68 -30.22 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.515 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 328' ' ' ASN . . . . . 0.654 ' ND2' HH22 ' C' ' 242' ' ' ARG . 2.4 m120 -92.24 -0.45 57.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.926 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.463 ' N ' ' O ' ' D' ' 325' ' ' ASP . 82.5 p -131.79 -46.8 0.95 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.072 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 330' ' ' SER . . . . . 0.52 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.4 OUTLIER -74.34 157.03 36.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.014 0.435 . . . . 0.0 111.141 -179.366 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 331' ' ' CYS . . . . . 0.71 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 25.4 p -135.92 88.08 2.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.527 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -162.27 99.15 1.05 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.999 0.428 . . . . 0.0 110.48 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 333' ' ' ILE . . . . . 0.415 ' H ' HG13 ' D' ' 333' ' ' ILE . 9.8 mt -38.93 -31.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.771 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -67.8 -59.94 2.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.505 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 3.9 mt -61.84 -49.59 75.68 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 336' ' ' LEU . . . . . 0.673 ' CB ' HH22 ' D' ' 340' ' ' ARG . 49.8 mt -50.55 -55.01 18.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.088 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 337' ' ' ALA . . . . . 0.465 ' N ' ' NH2' ' D' ' 340' ' ' ARG . . . -55.34 -44.72 76.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.038 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -56.71 -39.72 74.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.729 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 339' ' ' CYS . . . . . 0.417 ' CB ' HD11 ' D' ' 327' ' ' ILE . 24.2 m -60.05 -53.45 57.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.798 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 340' ' ' ARG . . . . . 0.687 HH21 HD12 ' C' ' 208' ' ' LEU . 0.1 OUTLIER -51.12 -46.17 61.82 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.014 179.445 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -55.11 -60.54 3.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.141 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 342' ' ' GLU . . . . . 0.563 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.8 pt-20 -66.01 -39.86 90.61 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.885 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 343' ' ' PHE . . . . . 0.508 ' CD1' HD13 ' C' ' 273' ' ' LEU . 12.5 t80 -62.02 -33.08 73.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.421 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -81.79 -48.23 11.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.115 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 345' ' ' ARG . . . . . 0.669 ' O ' HG12 ' D' ' 349' ' ' VAL . 1.1 ttt180 -51.13 -41.36 60.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.998 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 -58.08 -34.06 69.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.503 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 14.7 mt -78.73 -58.9 3.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.411 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 348' ' ' LYS . . . . . 0.418 ' HB3' ' HZ2' ' D' ' 348' ' ' LYS . 5.2 mtpm? -48.15 -51.53 24.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.38 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 349' ' ' VAL . . . . . 0.899 HG22 ' H ' ' D' ' 350' ' ' TYR . 6.3 p -68.13 -144.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.236 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 350' ' ' TYR . . . . . 0.899 ' H ' HG22 ' D' ' 349' ' ' VAL . 0.5 OUTLIER -157.91 129.29 6.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.741 0.305 . . . . 0.0 110.412 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 351' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.57 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . . . . . . 0 CA--C 1.526 0.728 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.2 p -46.39 93.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.373 . . . . 0.0 110.516 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 9' ' ' GLY . 14.4 pttp -84.41 115.38 22.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.54 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.502 ' C ' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -153.94 157.79 39.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.485 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.54 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -99.29 134.26 42.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.582 -179.877 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -79.09 92.9 5.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.565 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.452 HD13 ' OE1' ' A' ' 42' ' ' GLU . 16.8 mt -95.8 44.42 1.08 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.368 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.6 t -82.62 14.3 3.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.735 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 pttp -170.55 84.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.757 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -133.04 162.72 30.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.159 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -106.37 161.59 14.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.691 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.426 ' OH ' ' N ' ' B' ' 176' ' ' GLY . 18.8 t80 -59.35 -50.91 72.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.41 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.77 -47.74 79.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.761 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -55.27 -58.2 8.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.8 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.576 HD21 ' CD ' ' A' ' 42' ' ' GLU . 15.3 mt -53.31 -58.84 5.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.604 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.528 HH12 ' C ' ' B' ' 173' ' ' LEU . 10.5 tpt180 -53.01 -51.67 60.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.508 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 29' ' ' THR . 7.7 m-20 -55.46 -50.03 70.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.522 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.612 ' O ' ' N ' ' A' ' 30' ' ' SER . 14.9 m -52.38 -54.08 36.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.821 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.401 HG12 HD23 ' A' ' 36' ' ' LEU . 78.1 mt -64.93 -24.15 34.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.683 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.881 ' ND2' HH22 ' B' ' 142' ' ' ARG . 2.5 m-20 -92.4 -9.77 40.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.346 -179.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 25' ' ' ASP . 18.9 p -130.44 -3.93 4.29 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.972 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.612 ' N ' ' O ' ' A' ' 26' ' ' THR . 4.3 t -116.17 150.54 37.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.067 0.461 . . . . 0.0 110.953 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.4 p -122.94 18.0 10.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.103 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -79.26 95.88 5.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.813 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.444 ' N ' HD13 ' A' ' 33' ' ' ILE . 4.9 mm -42.29 -39.74 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.534 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.645 ' H ' ' CD ' ' A' ' 34' ' ' GLU . 5.6 mp0 -57.89 -58.75 7.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.26 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.485 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 12.8 mt -58.55 -39.81 81.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.314 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.469 HD13 HG21 ' B' ' 170' ' ' VAL . 90.8 mt -56.14 -43.26 78.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.358 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.96 -49.16 54.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.518 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.31 -46.52 89.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.449 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 72.3 m -59.32 -53.24 60.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.178 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.6 mtp85 -53.96 -39.88 66.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.328 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -60.21 -57.81 11.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.61 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.576 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.2 pt-20 -62.58 -36.12 81.7 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.458 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.427 ' O ' HD23 ' A' ' 47' ' ' LEU . 3.5 t80 -62.63 -38.9 92.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.133 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -68.83 -47.7 65.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.256 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.542 ' O ' ' N ' ' A' ' 49' ' ' VAL . 47.6 mtm180 -54.01 -51.14 64.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.511 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.4 mtp85 -55.95 -26.89 49.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.742 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 43' ' ' PHE . 3.4 mm? -86.72 -58.53 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.457 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.437 ' C ' ' H ' ' A' ' 50' ' ' TYR . 53.2 mttm -69.72 -46.0 66.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.755 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.542 ' N ' ' O ' ' A' ' 45' ' ' ARG . 3.5 t 63.32 1.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.515 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.519 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 2.7 m-85 -87.98 74.97 8.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.301 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 50' ' ' TYR . 76.0 m80 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.495 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.539 ' N ' ' O ' ' B' ' 117' ' ' VAL . 35.1 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -106.76 137.85 44.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.5 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 20.4 pt -144.6 152.34 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.618 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -102.28 158.17 16.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.723 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 97.3 t -144.63 111.33 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.393 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -92.52 133.78 35.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.705 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 50.1 p -84.01 -145.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.314 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.865 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.9 OUTLIER -83.59 -57.89 3.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.468 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 17.6 p -59.95 -44.99 94.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.672 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 149.82 -15.13 1.05 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -44.68 124.85 4.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.795 0.331 . . . . 0.0 110.518 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 17.0 m -103.9 147.79 26.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.677 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 4.9 mt -133.31 129.99 57.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.471 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 10.2 m -98.23 120.32 38.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.501 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 23.3 mt -118.08 134.75 54.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.642 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -94.63 79.41 3.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.351 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 117' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' B' ' 101' ' ' MET . 8.1 m -100.32 -167.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.831 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.516 ' OE1' ' N ' ' B' ' 101' ' ' MET . 9.9 mm-40 -143.23 150.77 53.23 Favored Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.891 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.56 -39.19 22.59 Favored 'Trans proline' 0 C--N 1.309 -1.529 0 C-N-CA 122.581 2.187 . . . . 0.0 112.619 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 2.5 p -82.55 22.81 0.83 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.347 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 121' ' ' ASP . . . . . 0.495 ' OD2' ' N ' ' B' ' 118' ' ' GLU . 25.5 m-20 -96.46 133.14 41.27 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.318 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 7.5 p -80.77 133.75 35.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 123' ' ' ILE . . . . . 0.404 HG22 ' NZ ' ' B' ' 127' ' ' LYS . 34.4 mm -41.97 -48.88 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.404 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -51.04 -43.29 60.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.193 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -60.25 -39.5 86.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.053 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 14.7 t -62.4 -43.81 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.913 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 127' ' ' LYS . . . . . 0.404 ' NZ ' HG22 ' B' ' 123' ' ' ILE . 41.5 mttp -56.32 -40.29 74.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.039 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.98 98.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.348 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -60.76 -45.14 95.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.435 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 15.3 mt -62.04 -47.58 92.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.375 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 131' ' ' GLN . . . . . 0.573 ' NE2' ' O ' ' B' ' 131' ' ' GLN . 1.1 tm0? -54.32 -32.67 57.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.289 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -74.15 -27.59 60.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.485 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 45.0 mmtt -79.56 -63.83 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.482 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -84.65 -109.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.518 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -168.35 10.12 0.05 OUTLIER Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.542 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 36.2 mt -80.09 115.56 55.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -63.09 152.08 81.43 Favored 'Trans proline' 0 C--N 1.315 -1.218 0 C-N-CA 121.474 1.449 . . . . 0.0 111.584 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.522 ' O ' ' N ' ' B' ' 140' ' ' GLN . 2.6 Cg_endo -47.8 -66.93 0.12 Allowed 'Trans proline' 0 C--N 1.31 -1.458 0 C-N-CA 122.453 2.102 . . . . 0.0 111.93 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -43.58 -17.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' B' ' 138' ' ' PRO . 69.8 mt-30 -110.6 34.88 3.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.624 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.542 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 77.2 mt-30 -134.52 159.76 40.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.606 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.881 HH22 ' ND2' ' A' ' 28' ' ' ASN . 19.4 ttm180 -165.77 129.61 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.255 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 15.8 mt -107.86 128.95 55.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.096 0.474 . . . . 0.0 110.993 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.9 mt -125.32 125.05 68.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.257 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 145' ' ' PHE . . . . . 0.423 ' CG ' ' N ' ' B' ' 146' ' ' ALA . 88.4 t80 -139.62 159.45 42.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.435 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 146' ' ' ALA . . . . . 0.423 ' N ' ' CG ' ' B' ' 145' ' ' PHE . . . 46.02 28.88 0.68 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.618 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 65.91 36.61 92.33 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -150.8 137.19 18.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.757 0.313 . . . . 0.0 110.396 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -74.71 130.66 39.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.368 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 15.7 mt -82.93 138.03 33.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.934 0.397 . . . . 0.0 110.729 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.4 159.26 34.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.501 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.03 -18.59 30.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.727 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -105.81 37.68 3.69 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -139.52 167.47 22.01 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 11.6 p -106.82 161.92 14.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.908 0.385 . . . . 0.0 110.801 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 156' ' ' LEU . . . . . 0.406 ' CD1' HG21 ' B' ' 117' ' ' VAL . 81.0 mt -57.35 -41.01 79.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.675 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 48.3 t -55.12 -44.17 74.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -49.38 -38.2 27.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.738 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -89.94 18.86 5.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.622 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 160' ' ' ASN . . . . . 0.457 ' N ' ' OD1' ' B' ' 160' ' ' ASN . 1.3 m-20 49.16 30.01 2.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 89.9 mt -80.45 108.67 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.375 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -89.35 -156.76 0.42 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.753 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 6.0 ptp85 -80.83 159.91 24.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.831 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 60.26 35.05 20.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.856 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 19.8 m -95.01 122.36 37.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.464 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 21.8 m -95.35 111.96 23.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.504 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 167' ' ' LEU . . . . . 0.4 HD12 ' H ' ' B' ' 167' ' ' LEU . 3.7 mp -100.05 159.27 15.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.619 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 168' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -104.89 118.95 37.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.094 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 169' ' ' LEU . . . . . 0.4 HD12 ' O ' ' B' ' 142' ' ' ARG . 49.1 tp -92.74 134.47 35.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.036 -179.319 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 170' ' ' VAL . . . . . 0.469 HG21 HD13 ' A' ' 36' ' ' LEU . 2.4 t -134.81 139.87 46.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.995 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.584 ' N ' HD12 ' B' ' 171' ' ' LEU . 8.6 mp -74.58 110.03 8.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.828 0.347 . . . . 0.0 110.732 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 172' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' B' ' 173' ' ' LEU . 57.5 ttt180 -71.32 74.16 0.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.412 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 173' ' ' LEU . . . . . 0.528 ' C ' HH12 ' A' ' 24' ' ' ARG . 8.2 mt -41.82 164.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.744 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -71.57 125.95 28.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.54 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . -179.78 158.92 23.01 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 176' ' ' GLY . . . . . 0.426 ' N ' ' OH ' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.526 0.723 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 201' ' ' MET . . . . . 0.523 ' N ' ' O ' ' C' ' 217' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -91.17 115.1 27.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.591 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 20.9 pt -104.63 150.18 7.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.637 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -101.13 143.18 31.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.566 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 6.2 t -131.66 114.58 25.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.451 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 206' ' ' LYS . . . . . 0.469 ' HG3' ' HZ2' ' C' ' 206' ' ' LYS . 46.4 mttp -97.03 132.08 43.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.718 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 65.2 p -88.11 -154.79 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.412 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 208' ' ' LEU . . . . . 0.86 HD22 ' H ' ' C' ' 208' ' ' LEU . 1.1 mm? -78.16 -52.06 9.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 11.0 p -66.63 -1.45 3.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.596 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 87.23 26.51 30.65 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -81.99 113.61 20.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.549 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 8.8 m -85.06 149.5 25.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.633 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 3.0 mt -143.95 127.62 12.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 27.7 m -92.87 116.61 29.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.262 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 25.2 mt -121.93 128.65 51.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.839 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -79.44 122.4 26.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.253 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 217' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' C' ' 201' ' ' MET . 14.4 m -147.41 176.92 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.966 0.412 . . . . 0.0 110.833 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 218' ' ' GLU . . . . . 0.601 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 75.4 mt-10 -131.62 150.67 76.97 Favored Pre-proline 0 CA--C 1.53 0.202 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.912 179.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.38 -25.72 3.49 Favored 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 122.532 2.154 . . . . 0.0 112.451 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.2 p -90.86 11.57 22.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.087 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 221' ' ' ASP . . . . . 0.601 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 8.8 m-20 -83.45 134.52 34.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.859 0.361 . . . . 0.0 110.252 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 11.4 p -83.34 137.15 34.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 23.9 mm -45.25 -46.26 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.297 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -55.0 -35.58 64.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.111 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 225' ' ' ASN . . . . . 0.514 ' O ' ' HB3' ' C' ' 228' ' ' ALA . 13.8 t-20 -65.11 -48.91 71.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.024 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 22.1 t -56.29 -55.8 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.916 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 227' ' ' LYS . . . . . 0.427 ' CA ' HE22 ' C' ' 241' ' ' GLN . 46.0 mttm -47.64 -36.12 10.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.005 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 228' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' C' ' 225' ' ' ASN . . . -62.84 -45.14 93.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.003 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -59.89 -35.35 74.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.207 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 5.8 mt -70.39 -31.72 47.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.29 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -70.56 -27.85 64.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.322 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -80.5 -31.21 37.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.684 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -81.3 -57.46 3.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.71 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -88.7 -99.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.566 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 175.34 8.14 0.02 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 236' ' ' ILE . . . . . 0.427 ' O ' ' OE1' ' C' ' 241' ' ' GLN . 14.3 mt -80.17 115.93 57.96 Favored Pre-proline 0 C--N 1.329 -0.301 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.14 149.27 81.3 Favored 'Trans proline' 0 C--N 1.315 -1.211 0 C-N-CA 121.547 1.498 . . . . 0.0 111.7 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -50.51 -39.5 55.02 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.384 2.056 . . . . 0.0 111.983 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.41 -40.41 95.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.791 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -83.91 38.14 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.732 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 241' ' ' GLN . . . . . 0.427 HE22 ' CA ' ' C' ' 227' ' ' LYS . 33.6 mt-30 -134.66 153.85 51.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.715 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 242' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -156.33 95.87 1.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.851 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 243' ' ' LEU . . . . . 0.413 ' N ' HD12 ' C' ' 243' ' ' LEU . 7.9 mp -77.01 132.09 38.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.193 0.521 . . . . 0.0 110.968 -179.46 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.7 mt -135.24 118.06 22.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.21 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 245' ' ' PHE . . . . . 0.48 ' O ' ' HB3' ' C' ' 246' ' ' ALA . 65.3 t80 -107.92 73.9 0.92 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.667 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 246' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' C' ' 245' ' ' PHE . . . 69.27 88.11 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.54 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 247' ' ' GLY . . . . . 0.542 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 45.18 30.75 2.82 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -134.22 94.19 3.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.781 0.324 . . . . 0.0 110.568 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -74.51 119.85 19.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.228 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 11.0 mt -81.44 135.05 35.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.904 0.383 . . . . 0.0 110.827 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 251' ' ' GLU . . . . . 0.474 ' OE1' ' NH1' ' C' ' 254' ' ' ARG . 76.8 mt-10 -82.26 161.5 22.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.421 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.19 -22.77 41.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -102.62 41.44 2.13 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.324 -0.711 . . . . 0.0 111.324 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 254' ' ' ARG . . . . . 0.474 ' NH1' ' OE1' ' C' ' 251' ' ' GLU . 27.3 mmt-85 -139.62 176.07 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 33.9 p -117.96 165.97 13.08 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.853 0.359 . . . . 0.0 110.72 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.77 -35.91 81.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.714 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 257' ' ' SER . . . . . 0.489 ' C ' ' H ' ' C' ' 259' ' ' TYR . 19.1 t -65.49 -30.75 71.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.82 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -69.73 11.09 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.721 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 259' ' ' TYR . . . . . 0.489 ' H ' ' C ' ' C' ' 257' ' ' SER . 60.2 m-85 -140.59 14.16 2.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.478 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 21.3 m120 55.55 26.45 9.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.742 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 94.7 mt -77.75 102.78 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.494 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -81.62 -157.54 0.19 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.61 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -84.68 158.76 20.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.689 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 56.69 29.43 15.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.784 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 41.2 m -80.69 131.4 35.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.537 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 27.7 m -87.83 113.06 23.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.605 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 11.7 mt -100.69 154.16 18.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.445 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 268' ' ' HIS . . . . . 0.654 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -113.0 100.17 8.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.24 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 269' ' ' LEU . . . . . 0.676 HD23 ' N ' ' C' ' 270' ' ' VAL . 6.4 tt -80.95 124.84 29.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.625 -179.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 270' ' ' VAL . . . . . 0.676 ' N ' HD23 ' C' ' 269' ' ' LEU . 4.6 t -116.28 148.57 18.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.649 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 271' ' ' LEU . . . . . 0.402 ' HB2' ' HE ' ' D' ' 340' ' ' ARG . 0.5 OUTLIER -84.59 95.53 8.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.2 179.653 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -50.19 137.4 17.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.487 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 273' ' ' LEU . . . . . 0.509 HD13 ' CD1' ' D' ' 343' ' ' PHE . 20.7 mt -117.13 170.09 8.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.529 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 -167.92 133.42 1.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.606 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . -81.31 -145.71 4.8 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 98.3 m . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.548 -180.0 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 309' ' ' GLY . . . . . 0.497 ' O ' ' NZ ' ' D' ' 312' ' ' LYS . . . . . . . . 0 CA--C 1.524 0.61 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 34.7 p -88.5 87.06 7.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 0.0 110.599 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 311' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -172.27 52.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.537 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 312' ' ' LYS . . . . . 0.497 ' NZ ' ' O ' ' D' ' 309' ' ' GLY . 11.8 mptt -68.17 166.41 16.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.442 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 313' ' ' TYR . . . . . 0.482 ' CD1' ' N ' ' D' ' 313' ' ' TYR . 0.5 OUTLIER -96.12 120.71 36.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.536 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.84 92.87 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.512 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 315' ' ' LEU . . . . . 0.46 HD13 ' OE1' ' D' ' 342' ' ' GLU . 11.0 mt -98.25 45.1 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.479 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 8.5 t -82.62 12.6 4.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.737 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -174.04 87.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 110.791 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -130.19 165.66 21.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.246 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 60.8 mmtt -105.06 163.71 12.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.736 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -63.9 -49.41 72.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.552 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -61.24 -39.62 91.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.655 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -61.67 -55.17 33.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.69 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.614 HD21 ' CD ' ' D' ' 342' ' ' GLU . 17.2 mt -56.67 -59.56 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.405 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 324' ' ' ARG . . . . . 0.518 ' O ' ' ND2' ' D' ' 328' ' ' ASN . 0.0 OUTLIER -53.14 -52.16 59.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.541 -179.876 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 325' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' D' ' 329' ' ' THR . 10.7 t70 -57.11 -49.08 77.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.596 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 326' ' ' THR . . . . . 0.549 ' O ' ' N ' ' D' ' 330' ' ' SER . 53.1 m -51.44 -48.7 62.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.654 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 327' ' ' ILE . . . . . 0.431 HG23 HD22 ' D' ' 336' ' ' LEU . 94.8 mt -69.35 -33.29 56.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.583 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 328' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' D' ' 324' ' ' ARG . 1.3 m-80 -87.06 -3.23 59.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.176 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.453 ' N ' ' O ' ' D' ' 325' ' ' ASP . 71.4 p -127.26 -16.09 5.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.869 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 330' ' ' SER . . . . . 0.549 ' N ' ' O ' ' D' ' 326' ' ' THR . 4.0 t -110.24 175.2 5.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.991 0.424 . . . . 0.0 110.95 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 331' ' ' CYS . . . . . 0.542 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 14.0 p -143.29 10.83 1.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.09 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 332' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' D' ' 333' ' ' ILE . 6.1 m-20 -72.09 92.06 1.3 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.493 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 333' ' ' ILE . . . . . 0.694 ' HA ' HD12 ' D' ' 336' ' ' LEU . 2.3 mt -38.38 -41.05 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.829 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -56.42 -57.18 13.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.137 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 10.9 mt -59.05 -43.06 91.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.912 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 336' ' ' LEU . . . . . 0.694 HD12 ' HA ' ' D' ' 333' ' ' ILE . 85.7 mt -52.2 -44.09 64.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.423 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -68.08 -49.21 62.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.596 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -60.02 -45.36 93.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.362 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 339' ' ' CYS . . . . . . . . . . . . . 90.2 m -59.03 -53.5 57.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.229 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 340' ' ' ARG . . . . . 0.402 ' HE ' ' HB2' ' C' ' 271' ' ' LEU . 14.9 mtp-105 -52.54 -42.77 64.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.276 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -58.33 -56.07 26.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 342' ' ' GLU . . . . . 0.614 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.5 pt-20 -69.92 -34.68 73.8 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.742 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 343' ' ' PHE . . . . . 0.509 ' CD1' HD13 ' C' ' 273' ' ' LEU . 24.8 t80 -58.45 -41.57 85.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.536 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -76.72 -52.45 9.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.307 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -46.62 -40.86 13.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.218 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 68.5 mtt-85 -61.39 -36.12 79.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.468 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 91.5 mt -84.11 -26.91 28.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.554 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 348' ' ' LYS . . . . . 0.485 ' O ' ' CE1' ' D' ' 350' ' ' TYR . 15.8 tptm -79.31 -57.49 3.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.504 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 349' ' ' VAL . . . . . . . . . . . . . 4.7 t -79.99 105.75 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.522 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 350' ' ' TYR . . . . . 0.485 ' CE1' ' O ' ' D' ' 348' ' ' LYS . 16.2 m-85 -79.75 74.09 6.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.552 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 351' ' ' HIS . . . . . 0.479 ' O ' ' ND1' ' D' ' 351' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.544 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.64 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.8 p -56.43 89.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.777 0.322 . . . . 0.0 110.651 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 12' ' ' LYS . 89.5 mttt -150.05 130.79 14.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.544 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 11' ' ' LYS . 16.3 mmtm 44.63 -172.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.622 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -112.34 131.79 55.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.513 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -79.12 93.03 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.573 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.7 mt -93.84 44.69 1.13 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.458 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.8 m -83.78 -3.8 58.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -147.56 76.38 1.4 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.749 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -128.22 163.49 24.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.351 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -106.96 166.68 10.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.622 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -65.61 -48.1 73.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.451 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.18 -33.61 74.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.694 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -68.37 -55.75 10.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.711 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.528 HD21 ' CD ' ' A' ' 42' ' ' GLU . 14.8 mt -56.42 -56.96 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.534 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.534 HH22 ' CG ' ' B' ' 172' ' ' ARG . 14.2 tpt85 -53.04 -53.41 50.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.437 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.532 ' OD2' ' CZ ' ' C' ' 245' ' ' PHE . 4.3 t70 -54.03 -50.57 66.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.384 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.569 ' O ' ' N ' ' A' ' 30' ' ' SER . 17.7 m -50.63 -50.29 54.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.644 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.2 mt -66.75 -25.87 35.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.638 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.589 ' ND2' HH11 ' B' ' 142' ' ' ARG . 2.9 m120 -100.29 1.86 42.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.15 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.53 ' N ' ' O ' ' A' ' 25' ' ' ASP . 75.3 p -135.85 -7.3 2.13 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.072 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.569 ' N ' ' O ' ' A' ' 26' ' ' THR . 4.7 t -111.89 169.47 8.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.984 0.421 . . . . 0.0 110.904 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.43 ' SG ' ' C ' ' B' ' 147' ' ' GLY . 40.2 m -143.22 36.08 1.36 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.323 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -107.67 99.12 8.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.703 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.7 mt -41.61 -37.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.473 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -59.5 -55.14 38.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.134 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.494 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 9.2 mt -62.25 -46.53 88.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.044 179.7 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.1 mt -53.07 -45.09 67.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.438 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.38 -49.06 70.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.469 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.29 -43.0 96.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.396 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 86.4 m -59.78 -53.47 57.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.249 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.555 HH21 HD22 ' B' ' 171' ' ' LEU . 17.0 mtp-105 -54.46 -41.09 69.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.42 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -58.43 -56.49 21.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.846 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.528 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.6 pt-20 -67.73 -37.43 82.18 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.756 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.471 ' CD1' HD13 ' B' ' 173' ' ' LEU . 10.4 t80 -60.13 -34.87 74.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.532 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -83.29 -49.64 9.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.322 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -50.53 -37.99 42.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.213 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 70.9 mtt-85 -63.67 -15.93 59.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.614 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.9 mt -105.85 -23.58 12.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.599 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' A' ' 50' ' ' TYR . 65.8 mmtt -79.45 -32.26 42.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.743 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.418 ' H ' HG22 ' A' ' 49' ' ' VAL . 2.5 m -43.62 89.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.623 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.54 ' N ' ' O ' ' A' ' 48' ' ' LYS . 10.3 m-85 41.29 62.2 1.56 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.653 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.54 ' N ' ' ND1' ' A' ' 51' ' ' HIS . 3.5 p-80 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.588 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.477 ' CG ' ' H ' ' B' ' 102' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 102' ' ' GLN . . . . . 0.477 ' H ' ' CG ' ' B' ' 101' ' ' MET . 13.8 tt0 -168.54 87.62 0.2 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.509 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 7.1 pt -100.83 153.39 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.834 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -109.35 122.09 46.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.456 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 57.3 t -108.78 107.2 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.337 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 106' ' ' LYS . . . . . 0.401 ' HZ2' HG23 ' B' ' 166' ' ' THR . 55.3 mttp -91.76 139.17 30.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.933 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 50.9 p -90.38 -146.93 0.19 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.347 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.923 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.7 OUTLIER -82.96 -60.95 2.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.546 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 109' ' ' THR . . . . . 0.402 ' H ' HG23 ' B' ' 109' ' ' THR . 5.6 p -56.45 -45.94 80.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.645 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 150.56 -6.92 0.68 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -45.71 112.24 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.725 0.297 . . . . 0.0 110.535 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.8 m -100.74 116.17 32.01 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.633 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 4.5 mt -105.69 130.56 56.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.434 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 7.5 m -90.24 99.89 12.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.543 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.492 HD22 ' N ' ' B' ' 115' ' ' LEU . 4.1 mm? -95.91 129.84 43.04 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.682 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -100.35 98.05 8.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.075 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 117' ' ' VAL . . . . . 0.43 HG21 ' CD1' ' B' ' 156' ' ' LEU . 22.9 m -122.54 -162.56 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.528 ' N ' ' OD2' ' B' ' 121' ' ' ASP . 37.2 mm-40 -144.56 150.11 46.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.917 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.3 -40.02 27.79 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.536 2.157 . . . . 0.0 112.597 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.6 p -81.83 22.81 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.408 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 121' ' ' ASP . . . . . 0.528 ' OD2' ' N ' ' B' ' 118' ' ' GLU . 29.7 m-20 -97.58 135.97 38.65 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.307 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 9.7 p -80.79 133.86 35.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.949 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 31.5 mm -43.69 -51.01 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.29 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -48.76 -42.17 34.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.171 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -61.43 -39.53 91.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.096 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.39 -50.14 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.962 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -51.33 -39.83 57.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.203 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.29 -43.55 97.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.312 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 42.0 mttp -57.75 -44.52 86.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.267 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 7.4 mt -62.38 -43.53 98.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.218 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -57.34 -28.32 63.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.192 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -79.88 -26.41 40.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.51 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -80.29 -62.1 1.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.498 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -89.92 -106.24 0.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.631 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -171.6 16.8 0.06 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.731 -0.947 . . . . 0.0 110.731 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.697 ' HB ' HE21 ' B' ' 141' ' ' GLN . 14.8 mt -87.75 114.27 58.26 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 110.5 -0.185 . . . . 0.0 110.5 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -65.28 150.72 87.02 Favored 'Trans proline' 0 C--N 1.314 -1.274 0 C-N-CA 121.523 1.482 . . . . 0.0 111.525 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -48.51 -60.6 0.81 Allowed 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.481 2.12 . . . . 0.0 111.9 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -43.72 -26.41 0.24 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -105.46 34.48 3.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.663 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.697 HE21 ' HB ' ' B' ' 136' ' ' ILE . 80.0 mt-30 -134.57 161.24 35.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.908 0.385 . . . . 0.0 110.624 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.589 HH11 ' ND2' ' A' ' 28' ' ' ASN . 22.2 ttt85 -166.43 116.64 0.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.204 -179.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 17.5 mt -96.82 131.65 43.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.034 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.5 mt -123.93 134.82 65.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.23 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -153.18 150.79 29.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.818 0.342 . . . . 0.0 110.718 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 58.19 22.24 8.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.963 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 147' ' ' GLY . . . . . 0.43 ' C ' ' SG ' ' A' ' 31' ' ' CYS . . . 73.38 28.9 64.95 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -146.18 147.77 31.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.874 0.369 . . . . 0.0 110.656 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 149' ' ' GLN . . . . . 0.566 ' NE2' ' O ' ' B' ' 150' ' ' LEU . 9.0 tm0? -78.73 135.31 37.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.24 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.566 ' O ' ' NE2' ' B' ' 149' ' ' GLN . 20.6 mt -88.01 118.74 27.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.766 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 151' ' ' GLU . . . . . 0.525 ' N ' ' OE1' ' B' ' 151' ' ' GLU . 0.5 OUTLIER -59.59 160.08 7.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.559 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.89 -24.54 26.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -100.17 37.63 3.48 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -139.49 174.03 10.93 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 25.6 p -111.09 166.1 11.34 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.76 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 156' ' ' LEU . . . . . 0.43 ' CD1' HG21 ' B' ' 117' ' ' VAL . 62.9 mt -62.5 -37.93 87.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.461 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 157' ' ' SER . . . . . 0.497 ' C ' ' H ' ' B' ' 159' ' ' TYR . 8.5 t -56.27 -31.62 63.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.812 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -69.01 11.69 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.687 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 159' ' ' TYR . . . . . 0.497 ' H ' ' C ' ' B' ' 157' ' ' SER . 77.8 m-85 -140.61 3.72 1.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.559 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 56.92 34.52 24.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.614 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 81.9 mt -79.5 97.28 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.493 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -79.68 -158.78 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.619 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 163' ' ' ARG . . . . . 0.422 ' NH1' ' OE1' ' B' ' 164' ' ' GLU . 39.7 ptt85 -83.4 158.97 21.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.666 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 164' ' ' GLU . . . . . 0.422 ' OE1' ' NH1' ' B' ' 163' ' ' ARG . 13.2 mt-10 63.15 23.27 13.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.746 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 50.2 m -82.32 129.92 34.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.452 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 166' ' ' THR . . . . . 0.401 HG23 ' HZ2' ' B' ' 106' ' ' LYS . 24.6 m -91.19 104.33 16.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.714 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 4.1 mp -96.12 147.06 24.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.498 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 168' ' ' HIS . . . . . 0.685 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -96.43 119.26 34.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.042 179.699 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 15.9 tp -99.28 111.16 23.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.475 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 1.1 t -112.17 144.09 20.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.234 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.602 ' N ' HD12 ' B' ' 171' ' ' LEU . 8.8 mp -82.24 91.13 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.567 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 172' ' ' ARG . . . . . 0.534 ' CG ' HH22 ' A' ' 24' ' ' ARG . 65.7 ttt180 -46.26 90.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.436 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 173' ' ' LEU . . . . . 0.512 ' N ' ' O ' ' B' ' 171' ' ' LEU . 22.9 mt -61.05 124.05 19.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.54 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -81.87 142.37 32.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.533 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 175' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' B' ' 176' ' ' GLY . . . -161.04 -123.92 0.7 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 176' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' B' ' 175' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.657 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 201' ' ' MET . . . . . 0.526 ' N ' ' O ' ' C' ' 217' ' ' VAL . 2.3 ptt? . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -82.55 119.88 24.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.65 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 19.4 pt -113.73 144.73 20.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.643 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -94.33 146.98 23.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.668 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 45.6 t -130.96 110.72 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.37 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -80.55 115.14 19.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.526 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 207' ' ' THR . . . . . 0.469 HG23 ' O ' ' C' ' 211' ' ' LYS . 52.4 p -68.76 -163.38 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.469 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 208' ' ' LEU . . . . . 0.928 HD22 ' H ' ' C' ' 208' ' ' LEU . 0.7 OUTLIER -81.34 -53.75 6.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.562 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 209' ' ' THR . . . . . 0.417 ' H ' HG23 ' C' ' 209' ' ' THR . 14.1 p -63.58 -44.22 94.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.577 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 154.82 -32.15 0.67 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 211' ' ' LYS . . . . . 0.469 ' O ' HG23 ' C' ' 207' ' ' THR . 43.3 tttp -44.68 128.62 6.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.76 0.314 . . . . 0.0 110.708 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 212' ' ' THR . . . . . 0.465 HG22 ' N ' ' C' ' 213' ' ' ILE . 31.4 m -99.32 158.69 15.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.644 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 213' ' ' ILE . . . . . 0.465 ' N ' HG22 ' C' ' 212' ' ' THR . 0.5 OUTLIER -136.14 130.16 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.402 179.819 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 26.2 m -99.94 96.95 7.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.393 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 215' ' ' LEU . . . . . 0.538 ' N ' HD12 ' C' ' 215' ' ' LEU . 10.5 mp -97.29 132.18 43.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.739 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 216' ' ' GLU . . . . . 0.496 ' H ' ' CD ' ' C' ' 216' ' ' GLU . 3.6 mp0 -83.8 126.4 32.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.984 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 217' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' C' ' 201' ' ' MET . 18.8 m -147.49 -161.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.066 0.46 . . . . 0.0 111.105 -179.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 218' ' ' GLU . . . . . 0.505 ' N ' ' OD2' ' C' ' 221' ' ' ASP . 2.1 mt-10 -142.67 170.66 8.38 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.668 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.28 -12.99 20.98 Favored 'Trans proline' 0 C--N 1.311 -1.395 0 C-N-CA 122.461 2.107 . . . . 0.0 112.432 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 2.7 p -101.73 -5.77 24.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.728 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 221' ' ' ASP . . . . . 0.505 ' OD2' ' N ' ' C' ' 218' ' ' GLU . 37.6 m-20 -66.77 140.69 57.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.428 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 10.3 p -85.8 141.76 29.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 22.2 mm -49.33 -39.6 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.248 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -58.39 -39.57 80.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.298 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 225' ' ' ASN . . . . . 0.518 ' OD1' ' NZ ' ' C' ' 229' ' ' LYS . 39.5 t-20 -65.06 -40.49 94.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.144 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 35.9 t -62.46 -47.52 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.188 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 227' ' ' LYS . . . . . 0.54 ' NZ ' ' O ' ' C' ' 241' ' ' GLN . 28.7 mttm -55.44 -40.13 71.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.242 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -61.77 -44.36 97.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.209 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 229' ' ' LYS . . . . . 0.518 ' NZ ' ' OD1' ' C' ' 225' ' ' ASN . 60.1 mttp -58.35 -45.37 88.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.288 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 59.7 mt -61.05 -37.76 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.29 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -61.24 -36.03 78.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.252 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -72.55 -24.05 61.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.621 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -82.95 -62.79 1.5 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.687 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -86.38 -107.91 0.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.649 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -171.31 13.15 0.05 OUTLIER Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 236' ' ' ILE . . . . . 0.524 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 27.7 mt -89.61 114.17 59.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -63.4 152.48 79.81 Favored 'Trans proline' 0 C--N 1.314 -1.273 0 C-N-CA 121.524 1.483 . . . . 0.0 111.745 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 238' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' C' ' 240' ' ' GLN . 2.7 Cg_endo -47.45 -62.75 0.4 Allowed 'Trans proline' 0 C--N 1.31 -1.492 0 C-N-CA 122.516 2.144 . . . . 0.0 111.88 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -45.45 -15.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.672 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 240' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' C' ' 238' ' ' PRO . 86.5 mt-30 -116.58 33.62 5.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.61 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 241' ' ' GLN . . . . . 0.54 ' O ' ' NZ ' ' C' ' 227' ' ' LYS . 49.0 mt-30 -134.51 166.92 21.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.67 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 242' ' ' ARG . . . . . 0.744 HH22 ' ND2' ' D' ' 328' ' ' ASN . 5.9 ttt180 -170.43 147.72 3.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.762 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 11.4 mt -125.09 136.2 53.43 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.093 0.473 . . . . 0.0 111.101 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 244' ' ' ILE . . . . . 0.458 ' O ' ' CG ' ' C' ' 268' ' ' HIS . 1.6 mt -129.13 116.26 39.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.057 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 245' ' ' PHE . . . . . 0.532 ' CZ ' ' OD2' ' A' ' 25' ' ' ASP . 61.9 t80 -100.7 74.54 1.67 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.947 0.404 . . . . 0.0 110.91 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 246' ' ' ALA . . . . . 0.4 ' CB ' ' OD1' ' A' ' 25' ' ' ASP . . . 56.34 88.17 0.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.973 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 247' ' ' GLY . . . . . . . . . . . . . . . 54.75 40.33 71.05 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -150.92 92.47 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.754 0.311 . . . . 0.0 110.901 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 249' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' D' ' 328' ' ' ASN . 10.9 tt0 -73.07 119.48 17.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.781 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 9.3 mt -80.83 141.44 34.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.931 0.395 . . . . 0.0 111.093 -179.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -86.14 161.09 19.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.364 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.16 0.1 54.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.891 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -123.14 34.25 3.76 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -135.81 178.44 7.04 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 255' ' ' THR . . . . . 0.42 ' C ' ' H ' ' C' ' 257' ' ' SER . 30.3 p -117.33 162.94 17.1 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.683 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 71.9 mt -66.83 2.77 1.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.6 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 257' ' ' SER . . . . . 0.42 ' H ' ' C ' ' C' ' 255' ' ' THR . 1.4 t -92.26 -43.77 9.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.726 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -51.0 -31.21 17.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.571 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -98.04 0.98 47.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.73 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 260' ' ' ASN . . . . . 0.556 ' O ' ' ND2' ' C' ' 260' ' ' ASN . 1.3 t30 62.15 13.13 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.767 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 45.0 mt -51.77 96.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.865 0.364 . . . . 0.0 110.3 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -76.3 -157.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.661 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -84.19 159.0 21.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 58.29 33.96 23.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.776 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 26.7 m -89.95 134.88 33.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.56 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 7.0 m -86.68 113.65 22.72 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.477 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 11.8 mt -109.55 115.74 30.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.704 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 268' ' ' HIS . . . . . 0.645 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.1 OUTLIER -73.39 117.35 15.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.078 179.627 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 269' ' ' LEU . . . . . 0.4 HD12 ' O ' ' C' ' 242' ' ' ARG . 35.1 tp -88.8 128.38 35.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.38 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 270' ' ' VAL . . . . . 0.522 HG12 ' H ' ' C' ' 271' ' ' LEU . 4.6 t -131.08 168.49 23.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.638 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 271' ' ' LEU . . . . . 0.522 ' H ' HG12 ' C' ' 270' ' ' VAL . 10.5 mt -99.53 119.84 38.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.532 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -79.92 91.63 5.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.557 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 273' ' ' LEU . . . . . 0.5 HD13 ' CD1' ' D' ' 343' ' ' PHE . 17.4 mt -72.99 100.44 2.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.548 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 274' ' ' ARG . . . . . 0.524 ' O ' ' NH2' ' D' ' 324' ' ' ARG . 61.2 ttt180 56.73 160.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.448 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . -149.48 73.44 0.28 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 88.9 m . . . . . 0 C--O 1.221 -0.404 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.609 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.698 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -157.05 85.06 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.774 0.321 . . . . 0.0 110.573 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 311' ' ' LYS . . . . . . . . . . . . . 59.3 tttt 45.38 52.05 9.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.54 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 312' ' ' LYS . . . . . 0.409 ' C ' ' CG ' ' D' ' 313' ' ' TYR . 16.9 mtmm -75.06 -157.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.58 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 313' ' ' TYR . . . . . 0.409 ' CG ' ' C ' ' D' ' 312' ' ' LYS . 11.8 m-85 -149.78 145.9 26.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.481 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -78.98 92.86 5.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.632 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 315' ' ' LEU . . . . . 0.472 ' C ' ' H ' ' D' ' 317' ' ' LYS . 19.6 mt -97.04 33.83 1.85 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.457 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 13.3 p -71.21 13.44 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.666 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 317' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' D' ' 315' ' ' LEU . 27.5 pttt -157.7 80.91 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.64 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 8.0 m95 -138.88 164.09 30.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.157 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -108.16 161.4 15.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.603 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -63.68 -48.74 75.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.413 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -60.08 -36.03 76.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.613 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -67.77 -55.41 13.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.633 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.508 HD21 ' CD ' ' D' ' 342' ' ' GLU . 13.3 mt -54.64 -56.77 15.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.448 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 324' ' ' ARG . . . . . 0.524 ' NH2' ' O ' ' C' ' 274' ' ' ARG . 4.0 tpt180 -53.09 -52.03 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.497 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 325' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' D' ' 329' ' ' THR . 69.8 m-20 -56.91 -49.45 75.55 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.439 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 326' ' ' THR . . . . . 0.423 ' O ' ' N ' ' D' ' 330' ' ' SER . 18.8 m -51.07 -43.26 60.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.56 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 95.8 mt -77.89 -21.88 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.757 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 328' ' ' ASN . . . . . 0.744 ' ND2' HH22 ' C' ' 242' ' ' ARG . 2.1 m120 -102.33 3.83 38.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.985 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.512 ' N ' ' O ' ' D' ' 325' ' ' ASP . 82.1 p -139.33 -40.57 0.47 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.683 0.277 . . . . 0.0 111.227 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 330' ' ' SER . . . . . 0.423 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.5 OUTLIER -82.13 162.34 22.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.035 0.445 . . . . 0.0 111.317 -179.335 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 331' ' ' CYS . . . . . 0.483 ' O ' ' SG ' ' D' ' 331' ' ' CYS . 26.5 p -138.35 88.28 2.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.305 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -157.1 95.4 1.49 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.328 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 4.6 mt -38.83 -34.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.798 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -64.07 -59.01 4.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.278 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 19.4 mt -60.96 -48.85 79.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.933 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 39.0 mt -50.58 -45.48 57.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.453 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -62.89 -49.07 76.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.43 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -63.38 -47.24 82.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.706 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 339' ' ' CYS . . . . . . . . . . . . . 75.4 m -55.29 -48.36 74.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.424 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 340' ' ' ARG . . . . . 0.489 ' NH2' HD12 ' C' ' 208' ' ' LEU . 6.8 mtp180 -62.8 -39.63 94.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.474 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -56.88 -57.32 12.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.653 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 342' ' ' GLU . . . . . 0.508 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.7 pt-20 -62.85 -33.95 76.33 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.555 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 343' ' ' PHE . . . . . 0.5 ' CD1' HD13 ' C' ' 273' ' ' LEU . 6.9 t80 -58.6 -44.87 90.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.288 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -70.39 -51.69 27.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.437 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -47.09 -49.13 22.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.503 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 72.1 mtt-85 -50.38 -36.72 33.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.499 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 12.5 mt -80.71 -52.53 7.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.526 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -61.41 -17.24 53.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.597 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 349' ' ' VAL . . . . . . . . . . . . . 5.9 t -132.61 106.93 11.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.539 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 350' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -79.47 44.66 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 351' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.565 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.62 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 11' ' ' LYS . 25.7 m -138.6 72.03 1.4 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.867 0.365 . . . . 0.0 110.463 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 10' ' ' THR . 34.0 tttp 50.04 100.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.567 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -79.52 173.76 12.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.575 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -96.1 130.04 43.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.517 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.56 92.85 5.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.582 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.9 mt -92.83 43.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.2 p -95.47 -6.52 40.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.667 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -122.14 41.71 3.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.524 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -109.32 168.28 9.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.548 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -112.54 164.13 13.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.568 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 29.5 t80 -60.59 -49.61 76.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.6 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.45 -39.24 92.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.417 ' O ' ' OG1' ' A' ' 26' ' ' THR . 52.0 mm-40 -60.15 -58.06 10.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.632 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.492 HD21 ' CD ' ' A' ' 42' ' ' GLU . 14.4 mt -55.5 -58.01 9.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.542 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.8 -45.56 67.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.156 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 29' ' ' THR . 8.3 t70 -60.33 -49.77 76.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.09 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.541 ' O ' ' N ' ' A' ' 30' ' ' SER . 4.4 m -49.07 -45.95 43.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.46 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.611 HD11 ' SG ' ' A' ' 39' ' ' CYS . 89.5 mt -73.55 -28.03 24.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.949 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -93.28 0.29 56.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.196 -179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' ASP . 43.8 p -137.0 -44.73 0.57 Allowed 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.357 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.8 OUTLIER -70.75 173.79 6.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.013 0.435 . . . . 0.0 111.323 -179.268 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.425 ' SG ' ' CG2' ' B' ' 144' ' ' ILE . 66.1 m -151.68 86.91 1.34 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.438 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -163.14 102.45 0.98 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.926 0.394 . . . . 0.0 110.537 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.635 ' H ' HD12 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -39.24 -44.52 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.77 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -55.16 -58.85 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.407 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.76 -52.49 65.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.102 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.9 mt -50.58 -46.16 57.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.578 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.85 -49.21 77.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.445 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.69 -42.78 99.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.229 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.611 ' SG ' HD11 ' A' ' 27' ' ' ILE . 30.9 t -60.75 -53.55 56.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.157 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.2 mtp-105 -55.04 -38.87 68.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.365 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -60.05 -59.67 5.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.664 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.492 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.7 pt-20 -63.24 -35.13 79.3 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.543 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.488 ' CD1' HD13 ' B' ' 173' ' ' LEU . 13.4 t80 -59.82 -40.55 88.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.304 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -71.97 -52.55 16.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.315 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.522 ' O ' ' N ' ' A' ' 49' ' ' VAL . 59.6 mtp180 -46.75 -47.7 20.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.451 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.7 mtp85 -52.12 -26.74 11.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.569 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.3 mt -95.84 -53.82 3.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.569 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -68.07 -48.02 66.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.638 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.522 ' N ' ' O ' ' A' ' 45' ' ' ARG . 3.0 t 56.59 -126.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.291 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.432 ' O ' ' O ' ' A' ' 49' ' ' VAL . 0.3 OUTLIER 45.52 98.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.56 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.528 179.94 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.526 ' N ' ' O ' ' B' ' 117' ' ' VAL . 29.4 ttp . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -92.31 125.37 36.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.669 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 17.4 pt -123.42 145.01 31.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.487 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' PHE . . . . . 0.497 ' CE2' ' OG1' ' B' ' 114' ' ' THR . 78.9 m-85 -98.96 135.67 40.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.669 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 38.5 t -113.89 107.05 21.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.253 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.44 155.12 27.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.63 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 17.1 p -121.61 -174.24 2.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.424 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.941 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.7 OUTLIER -81.85 -26.98 33.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.406 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 44.5 p -84.85 3.1 39.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.47 -14.85 63.74 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -56.11 161.64 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 110.535 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 4.7 m -141.37 152.82 44.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.551 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -137.98 126.24 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.431 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 114' ' ' THR . . . . . 0.497 ' OG1' ' CE2' ' B' ' 104' ' ' PHE . 10.6 m -96.93 96.53 8.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.559 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.566 ' N ' HD12 ' B' ' 115' ' ' LEU . 8.8 mp -95.7 137.9 34.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.734 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -90.23 123.31 33.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.2 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 117' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' B' ' 101' ' ' MET . 16.8 m -147.76 -170.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.018 0.437 . . . . 0.0 110.818 -179.596 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.59 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 4.5 mt-10 -137.43 148.38 61.54 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.786 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.98 -25.04 2.53 Favored 'Trans proline' 0 C--N 1.31 -1.462 0 C-N-CA 122.385 2.056 . . . . 0.0 112.377 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.34 12.31 18.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.946 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 121' ' ' ASP . . . . . 0.59 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 1.1 m-20 -84.31 134.8 34.5 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 110.256 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 10.5 p -83.65 135.82 34.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.793 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 26.2 mm -41.96 -48.65 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.317 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -51.0 -42.69 60.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.164 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 125' ' ' ASN . . . . . 0.455 ' O ' ' HB3' ' B' ' 128' ' ' ALA . 23.5 t-20 -60.46 -46.89 88.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.022 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 45.7 t -54.79 -46.78 74.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.941 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 127' ' ' LYS . . . . . 0.445 ' O ' ' OE1' ' B' ' 141' ' ' GLN . 82.7 mttt -54.73 -36.59 64.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.948 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 128' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' B' ' 125' ' ' ASN . . . -62.4 -49.84 73.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.17 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -55.19 -47.61 74.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.359 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 71.7 mt -56.87 -46.79 83.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.366 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 131' ' ' GLN . . . . . 0.451 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 2.1 tp60 -54.77 -31.48 58.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.871 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -70.88 -40.33 72.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.627 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -70.59 -64.59 0.87 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.324 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -80.99 -115.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.618 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -168.77 13.04 0.06 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.525 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 45.7 mt -84.69 119.0 72.3 Favored Pre-proline 0 CA--C 1.533 0.289 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -59.94 153.15 59.36 Favored 'Trans proline' 0 C--N 1.314 -1.279 0 C-N-CA 121.476 1.451 . . . . 0.0 111.654 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.515 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -47.8 -65.44 0.18 Allowed 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.501 2.134 . . . . 0.0 111.882 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 139' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' B' ' 139' ' ' ASP . 50.1 t0 -42.31 -22.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' B' ' 138' ' ' PRO . 86.5 mt-30 -106.69 33.38 3.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.788 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 78.3 mt-30 -134.65 82.27 1.95 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.7 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.705 HH12 HH21 ' B' ' 172' ' ' ARG . 40.6 ttt85 -90.04 112.22 23.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.994 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.6 mt -92.87 140.64 29.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.076 0.465 . . . . 0.0 111.24 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 144' ' ' ILE . . . . . 0.425 ' CG2' ' SG ' ' A' ' 31' ' ' CYS . 2.4 mt -133.57 138.03 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.205 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 145' ' ' PHE . . . . . 0.529 ' O ' ' HB3' ' B' ' 146' ' ' ALA . 83.9 t80 -166.29 144.25 5.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.591 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 146' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' B' ' 145' ' ' PHE . . . 71.85 17.9 5.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.8 21.9 70.51 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 37.9 mttm -146.36 149.93 34.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.716 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 149' ' ' GLN . . . . . 0.527 ' NE2' ' OE1' ' B' ' 151' ' ' GLU . 1.1 tm0? -80.65 131.58 35.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.187 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.444 ' O ' ' OE1' ' B' ' 149' ' ' GLN . 12.5 mt -80.26 113.56 18.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.029 -179.499 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 151' ' ' GLU . . . . . 0.527 ' OE1' ' NE2' ' B' ' 149' ' ' GLN . 0.3 OUTLIER -60.97 160.99 8.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.373 179.721 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.21 -24.48 32.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.812 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -97.75 41.33 2.31 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 32.8 mmt-85 -139.65 173.83 11.14 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 35.3 p -117.8 165.01 14.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.928 0.394 . . . . 0.0 110.654 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 156' ' ' LEU . . . . . 0.514 ' CD1' HG21 ' B' ' 117' ' ' VAL . 90.1 mt -61.94 -34.11 75.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.595 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 83.3 p -65.86 -41.63 91.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.685 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -51.15 -39.7 56.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.692 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 159' ' ' TYR . . . . . 0.416 ' OH ' ' OE2' ' B' ' 151' ' ' GLU . 57.9 m-85 -88.04 8.53 26.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.704 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 160' ' ' ASN . . . . . 0.551 ' ND2' ' O ' ' B' ' 160' ' ' ASN . 1.8 t30 61.21 21.17 11.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.75 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 85.9 mt -69.93 102.59 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.369 . . . . 0.0 110.345 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -83.85 -168.14 2.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.729 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -72.75 161.79 30.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.818 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 51.54 38.94 23.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.679 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 30.4 m -102.28 138.94 38.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.492 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 6.2 m -85.1 147.45 26.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.37 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.7 mt -134.31 111.6 10.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.238 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 168' ' ' HIS . . . . . 0.689 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -68.77 106.6 2.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.162 -179.794 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 41.2 tp -87.57 130.34 34.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.622 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.0 t -129.24 154.95 40.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.359 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.624 ' N ' HD12 ' B' ' 171' ' ' LEU . 7.4 mp -98.1 104.19 16.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.603 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 172' ' ' ARG . . . . . 0.705 HH21 HH12 ' B' ' 142' ' ' ARG . 60.1 ttt180 -56.09 82.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.393 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 173' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' B' ' 171' ' ' LEU . 34.2 mt -46.64 96.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.656 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 174' ' ' ARG . . . . . 0.491 ' CG ' ' H ' ' B' ' 175' ' ' GLY . 0.0 OUTLIER 42.33 -141.22 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.711 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 175' ' ' GLY . . . . . 0.491 ' H ' ' CG ' ' B' ' 174' ' ' ARG . . . 173.83 -93.5 0.1 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.599 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 201' ' ' MET . . . . . . . . . . . . . 1.4 ptt? . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -96.75 114.19 25.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.727 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 18.6 pt -102.28 149.44 6.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.598 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -102.99 139.98 37.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.705 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 41.0 t -127.7 109.71 20.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.281 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -93.74 132.13 38.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.814 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 70.1 p -84.63 -157.43 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.301 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 208' ' ' LEU . . . . . 0.609 ' N ' HD22 ' C' ' 208' ' ' LEU . 3.3 mm? -70.4 -61.41 1.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.55 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 5.7 p -56.27 -45.89 79.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.546 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 143.78 11.51 0.36 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -62.66 110.23 1.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.736 0.303 . . . . 0.0 110.632 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 8.7 m -90.88 134.87 34.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.426 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 213' ' ' ILE . . . . . 0.409 HD13 HG21 ' C' ' 213' ' ' ILE . 2.8 mt -126.94 128.09 70.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.667 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 8.1 m -95.59 122.74 38.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.128 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 30.9 mt -130.41 128.92 42.34 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.877 0.37 . . . . 0.0 110.953 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -77.01 121.48 23.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.221 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 217' ' ' VAL . . . . . . . . . . . . . 15.4 m -147.56 174.03 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.385 . . . . 0.0 110.885 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 218' ' ' GLU . . . . . 0.584 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 76.1 mt-10 -128.39 151.24 76.23 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.0 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.81 -25.89 2.88 Favored 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 122.482 2.121 . . . . 0.0 112.352 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.6 p -80.59 -27.55 37.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.747 0.308 . . . . 0.0 110.944 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 221' ' ' ASP . . . . . 0.584 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 5.0 m-20 -45.71 135.57 6.69 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.964 0.411 . . . . 0.0 110.644 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 222' ' ' THR . . . . . 0.426 ' OG1' ' OD1' ' C' ' 225' ' ' ASN . 17.5 p -90.82 140.17 30.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.648 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 22.5 mm -45.51 -34.12 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.363 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -63.22 -41.58 99.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.264 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 225' ' ' ASN . . . . . 0.426 ' OD1' ' OG1' ' C' ' 222' ' ' THR . 2.8 m120 -63.64 -40.66 97.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.065 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 44.4 t -62.64 -50.76 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.961 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 227' ' ' LYS . . . . . 0.509 ' NZ ' ' O ' ' C' ' 241' ' ' GLN . 19.6 mttm -50.17 -42.35 50.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.177 179.438 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -61.55 -43.74 98.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.426 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 37.1 mttp -58.52 -38.88 78.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.445 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 8.0 mt -69.25 -33.1 56.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.314 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -66.21 -30.94 71.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.306 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -79.14 -31.17 43.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.631 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm -78.31 -62.44 1.68 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.705 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -86.05 -97.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.593 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 169.66 15.5 0.02 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 236' ' ' ILE . . . . . 0.523 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 53.7 mt -84.26 128.59 61.55 Favored Pre-proline 0 CA--C 1.532 0.283 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -55.58 147.99 56.16 Favored 'Trans proline' 0 C--N 1.313 -1.303 0 C-N-CA 121.645 1.564 . . . . 0.0 111.591 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -51.98 -37.21 67.1 Favored 'Trans proline' 0 C--N 1.309 -1.513 0 C-N-CA 122.246 1.964 . . . . 0.0 111.726 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -66.01 -40.8 91.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.493 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -84.43 36.57 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.536 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 241' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 87.0 mt-30 -134.34 74.72 1.55 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.525 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 242' ' ' ARG . . . . . 0.558 ' HG2' HE21 ' C' ' 249' ' ' GLN . 32.5 ttt85 -89.71 109.44 20.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.215 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 15.3 mt -88.5 131.59 34.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.5 mt -127.18 123.61 62.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.362 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 245' ' ' PHE . . . . . 0.449 ' CZ ' ' OD2' ' A' ' 25' ' ' ASP . 59.6 t80 -112.8 85.51 2.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.737 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 246' ' ' ALA . . . . . 0.461 ' C ' ' H ' ' C' ' 248' ' ' LYS . . . 63.69 61.67 0.98 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.817 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 247' ' ' GLY . . . . . 0.543 ' H ' ' HB3' ' D' ' 331' ' ' CYS . . . 73.95 -18.68 1.86 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 248' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' C' ' 246' ' ' ALA . 76.9 mttt -81.47 93.46 6.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.714 0.292 . . . . 0.0 110.64 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 249' ' ' GLN . . . . . 0.573 ' NE2' ' O ' ' C' ' 250' ' ' LEU . 8.5 tm0? -69.54 124.55 24.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.968 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 250' ' ' LEU . . . . . 0.573 ' O ' ' NE2' ' C' ' 249' ' ' GLN . 10.0 mt -85.08 137.74 32.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.929 0.395 . . . . 0.0 110.909 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.13 159.54 16.04 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.328 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -0.54 32.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.747 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -122.98 40.75 1.93 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -139.57 174.77 10.18 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 255' ' ' THR . . . . . 0.489 ' C ' ' H ' ' C' ' 257' ' ' SER . 19.1 p -118.47 159.63 23.16 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.688 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.34 2.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 257' ' ' SER . . . . . 0.489 ' H ' ' C ' ' C' ' 255' ' ' THR . 25.5 t -96.47 -32.88 12.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.549 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -74.43 15.98 0.3 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.567 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 259' ' ' TYR . . . . . 0.452 ' H ' ' C ' ' C' ' 257' ' ' SER . 69.7 m-85 -140.62 6.72 2.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.514 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 2.5 m120 57.68 28.17 15.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.719 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 91.9 mt -77.94 96.35 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.424 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -79.64 -157.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.754 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.62 161.77 21.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.718 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 52.43 24.37 2.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.593 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 24.2 m -85.48 134.68 34.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.571 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 6.7 m -82.25 151.42 26.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.425 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 8.7 mt -139.61 125.67 19.86 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.446 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 268' ' ' HIS . . . . . 0.638 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -81.94 100.55 9.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.309 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 50.4 tp -82.6 133.81 35.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.806 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 270' ' ' VAL . . . . . 0.488 HG22 HD13 ' D' ' 336' ' ' LEU . 2.1 t -132.08 163.71 36.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.249 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 271' ' ' LEU . . . . . 0.598 ' N ' HD12 ' C' ' 271' ' ' LEU . 7.3 mp -101.39 98.25 8.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.357 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 -46.41 118.36 1.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.531 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 273' ' ' LEU . . . . . 0.509 HD13 ' CG ' ' D' ' 343' ' ' PHE . 34.6 mt -97.43 78.26 2.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.526 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -81.18 146.65 30.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.556 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 275' ' ' GLY . . . . . 0.48 ' O ' ' SG ' ' C' ' 276' ' ' CYS . . . -72.35 93.62 0.61 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 276' ' ' CYS . . . . . 0.48 ' SG ' ' O ' ' C' ' 275' ' ' GLY . 64.2 m . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.604 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.682 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 310' ' ' THR . . . . . 0.522 ' O ' ' N ' ' D' ' 312' ' ' LYS . 18.3 p -84.78 99.35 10.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.021 0.439 . . . . 0.0 110.56 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 311' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' D' ' 312' ' ' LYS . 29.9 pttt -42.23 90.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.778 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 312' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' D' ' 310' ' ' THR . 18.1 mmtp 44.11 -170.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.567 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -125.14 133.24 52.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.487 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -79.28 92.87 5.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.498 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 16.6 mt -94.34 32.5 1.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.493 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 43.9 p -74.84 6.79 3.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.612 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -147.47 73.59 1.29 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.664 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -133.82 158.53 43.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.387 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.41 ' N ' ' CD ' ' D' ' 319' ' ' LYS . 3.5 mptp? -99.62 165.02 11.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.55 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 320' ' ' TYR . . . . . 0.476 ' C ' ' CD1' ' D' ' 320' ' ' TYR . 16.0 t80 -65.42 -47.37 76.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.509 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.22 89.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.642 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -64.77 -50.65 65.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.731 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.574 HD21 ' CD ' ' D' ' 342' ' ' GLU . 14.7 mt -61.75 -56.0 24.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.597 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 324' ' ' ARG . . . . . . . . . . . . . 15.6 tpt85 -56.35 -43.18 78.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.546 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 325' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' D' ' 329' ' ' THR . 14.4 t70 -67.57 -46.09 73.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.505 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 326' ' ' THR . . . . . 0.479 ' O ' ' N ' ' D' ' 330' ' ' SER . 96.7 m -55.05 -41.02 70.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.49 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 327' ' ' ILE . . . . . 0.52 HG23 HD22 ' D' ' 336' ' ' LEU . 96.5 mt -73.51 -38.01 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.621 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 328' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -79.17 -21.9 45.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.47 ' N ' ' O ' ' D' ' 325' ' ' ASP . 68.2 p -103.5 -49.24 3.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.775 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 330' ' ' SER . . . . . 0.479 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.5 OUTLIER -79.07 178.33 8.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.924 -179.696 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 331' ' ' CYS . . . . . 0.543 ' HB3' ' H ' ' C' ' 247' ' ' GLY . 2.4 p -147.84 10.6 0.93 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.149 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -67.36 93.94 0.36 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.361 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 333' ' ' ILE . . . . . 0.6 ' HA ' HD12 ' D' ' 336' ' ' LEU . 2.1 mt -38.61 -41.2 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.891 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -57.83 -58.76 6.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.278 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 335' ' ' LEU . . . . . 0.501 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 11.1 mt -57.43 -39.21 75.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.057 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 336' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' D' ' 333' ' ' ILE . 95.7 mt -56.91 -42.47 79.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.135 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -66.15 -47.17 74.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.244 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 338' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' D' ' 341' ' ' GLU . . . -70.72 -32.81 70.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.371 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 339' ' ' CYS . . . . . 0.501 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 99.6 m -69.12 -45.21 70.74 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -65.79 -42.82 90.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.913 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 341' ' ' GLU . . . . . 0.462 ' CG ' ' N ' ' D' ' 342' ' ' GLU . 4.7 pt-20 -63.4 -45.19 92.15 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.636 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 342' ' ' GLU . . . . . 0.574 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.3 pt-20 -73.27 -36.59 66.37 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.444 -0.503 . . . . 0.0 110.182 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 343' ' ' PHE . . . . . 0.509 ' CG ' HD13 ' C' ' 273' ' ' LEU . 20.4 t80 -59.04 -40.01 83.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.185 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -75.71 -52.59 10.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.363 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 345' ' ' ARG . . . . . 0.468 HH21 ' CB ' ' D' ' 342' ' ' GLU . 0.5 OUTLIER -46.09 -43.16 14.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.191 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 9.0 mtp85 -59.73 -38.92 83.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.559 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 347' ' ' LEU . . . . . 0.415 ' CD1' ' CE1' ' D' ' 343' ' ' PHE . 12.5 mt -83.28 -25.09 31.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.466 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 348' ' ' LYS . . . . . 0.425 ' HB3' ' HZ2' ' D' ' 348' ' ' LYS . 0.5 OUTLIER -75.41 -49.33 19.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.555 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 349' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' D' ' 351' ' ' HIS . 83.7 t -80.0 126.67 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.506 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 350' ' ' TYR . . . . . 0.497 ' N ' ' CD1' ' D' ' 350' ' ' TYR . 0.5 OUTLIER -46.32 89.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.499 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 351' ' ' HIS . . . . . 0.524 ' N ' ' O ' ' D' ' 349' ' ' VAL . 32.1 p-80 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.549 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.684 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.2 t -170.45 141.64 1.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 110.514 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -150.06 100.1 2.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.464 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.1 mmtt -79.85 171.66 14.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.549 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -95.07 123.83 38.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.521 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.69 92.88 4.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.56 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.521 HD13 ' OE1' ' A' ' 42' ' ' GLU . 9.7 mt -93.96 44.64 1.13 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.408 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.8 p -64.74 -25.94 68.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.801 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -155.05 112.83 3.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.711 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -135.61 179.47 6.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.15 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -116.58 158.53 23.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.424 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -59.49 -51.24 70.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.687 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.03 -44.35 92.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.77 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -55.04 -48.82 72.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.6 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.505 HD21 ' CD ' ' A' ' 42' ' ' GLU . 15.9 mt -62.28 -58.4 7.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.439 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.669 HH12 HH12 ' B' ' 142' ' ' ARG . 1.5 ttt85 -52.95 -49.36 66.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.338 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.527 ' OD2' ' CZ ' ' C' ' 245' ' ' PHE . 4.3 t70 -55.96 -50.59 70.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.214 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.529 ' O ' ' N ' ' A' ' 30' ' ' SER . 33.2 m -50.5 -44.74 56.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.363 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.653 HD11 ' SG ' ' A' ' 39' ' ' CYS . 86.4 mt -73.11 -39.31 56.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.635 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.681 ' N ' HD22 ' A' ' 28' ' ' ASN . 0.7 OUTLIER -77.76 -5.53 50.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.113 -179.427 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 25' ' ' ASP . 68.8 p -125.71 -53.94 1.55 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.031 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.4 t -65.3 170.45 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.056 0.455 . . . . 0.0 111.048 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.8 p -142.69 22.93 1.96 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.326 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.32 97.11 10.61 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.716 -179.522 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.439 ' N ' HD13 ' A' ' 33' ' ' ILE . 5.2 mm -39.34 -38.89 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.568 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.635 ' H ' ' CD ' ' A' ' 34' ' ' GLU . 6.5 mp0 -59.54 -59.02 6.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.387 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.7 mt -59.4 -39.71 84.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.265 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.4 mt -58.18 -43.92 87.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.41 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.3 -49.3 61.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.422 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.4 97.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.267 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.653 ' SG ' HD11 ' A' ' 27' ' ' ILE . 51.5 t -59.82 -53.48 57.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.047 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.661 ' HE ' ' CD1' ' B' ' 171' ' ' LEU . 16.6 mtp-105 -54.26 -42.68 70.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.183 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -56.32 -58.9 6.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.816 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.521 ' OE1' HD13 ' A' ' 15' ' ' LEU . 3.3 pt-20 -65.14 -37.52 87.68 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.756 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.579 ' CD1' HD13 ' B' ' 173' ' ' LEU . 11.9 t80 -58.75 -43.68 90.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.799 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -72.12 -55.6 7.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.434 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.456 ' O ' HG12 ' A' ' 49' ' ' VAL . 73.1 mtp180 -45.86 -45.28 14.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.584 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 67.7 mtt-85 -54.3 -28.02 39.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.54 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.3 mt -92.85 -49.04 6.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.567 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -56.3 -45.7 80.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.645 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.518 ' O ' HG13 ' A' ' 49' ' ' VAL . 7.4 p -45.17 119.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.614 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' VAL . 61.1 m-85 35.43 80.15 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.051 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.3 t60 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.565 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -94.13 117.93 30.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.61 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 21.8 pt -104.39 148.47 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.605 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -99.61 147.32 25.49 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.774 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 92.3 t -131.8 106.04 10.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.167 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -94.28 130.29 40.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.76 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 71.4 p -86.45 -156.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.504 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.952 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.5 OUTLIER -83.32 -37.08 23.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.408 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 6.3 p -77.54 -7.32 56.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.521 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 96.34 19.29 28.38 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -79.33 112.73 16.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.726 0.298 . . . . 0.0 110.511 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.6 m -92.02 139.76 30.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.697 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 1.4 mt -133.33 124.48 49.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.42 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 9.1 m -91.51 126.19 36.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.387 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 29.6 mt -131.49 131.74 43.69 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.925 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -78.93 124.19 28.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.191 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 16.5 m -147.44 177.73 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.908 0.385 . . . . 0.0 110.895 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.598 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 81.1 mt-10 -132.61 150.64 76.36 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.971 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.83 -23.12 2.27 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.511 2.141 . . . . 0.0 112.322 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.4 p -92.4 11.24 26.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.009 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 121' ' ' ASP . . . . . 0.598 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 6.6 m-20 -83.75 131.33 34.92 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.199 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 122' ' ' THR . . . . . 0.508 ' O ' ' N ' ' B' ' 125' ' ' ASN . 4.6 p -84.33 134.63 34.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.849 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 29.1 mm -42.4 -33.33 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.144 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -64.85 -39.71 93.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.186 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 125' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' B' ' 122' ' ' THR . 18.9 m120 -65.09 -39.59 93.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.936 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 21.2 t -64.05 -44.32 97.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.051 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -57.31 -38.03 73.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.096 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.68 -43.5 93.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.194 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -58.45 -49.52 77.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.316 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 30.3 mt -57.79 -49.93 79.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.269 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 131' ' ' GLN . . . . . 0.427 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.9 OUTLIER -50.34 -36.01 30.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.372 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -69.85 -30.65 68.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.434 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -77.5 -63.55 1.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.446 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -79.65 -83.33 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.513 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 156.66 13.11 0.05 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.512 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 52.3 mt -85.2 127.62 63.27 Favored Pre-proline 0 CA--C 1.533 0.294 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -56.23 149.68 53.4 Favored 'Trans proline' 0 C--N 1.314 -1.26 0 C-N-CA 121.673 1.582 . . . . 0.0 111.651 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -50.78 -36.28 51.26 Favored 'Trans proline' 0 C--N 1.31 -1.457 0 C-N-CA 122.318 2.012 . . . . 0.0 111.885 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 139' ' ' ASP . . . . . 0.468 ' C ' ' H ' ' B' ' 141' ' ' GLN . 52.6 t0 -69.26 -48.55 61.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.83 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -72.7 37.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.794 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.512 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 79.4 mt-30 -134.39 156.33 48.71 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.626 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.687 HH21 ' NE2' ' B' ' 149' ' ' GLN . 12.2 ttt85 -159.35 138.28 11.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.013 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.4 mt -121.16 136.83 54.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.078 0.466 . . . . 0.0 111.057 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.8 mt -126.86 140.74 48.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.148 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 145' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' B' ' 148' ' ' LYS . 50.6 t80 -148.01 153.14 38.58 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.663 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 41.64 26.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.688 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 147' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' B' ' 145' ' ' PHE . . . 72.66 43.46 43.38 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 148' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' B' ' 145' ' ' PHE . 34.8 mtmm -150.03 135.47 18.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.785 0.326 . . . . 0.0 110.594 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 149' ' ' GLN . . . . . 0.687 ' NE2' HH21 ' B' ' 142' ' ' ARG . 16.8 tt0 -75.41 125.69 29.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.362 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 15.1 mt -82.64 137.43 34.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.751 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 151' ' ' GLU . . . . . 0.461 ' OE1' ' NH2' ' B' ' 154' ' ' ARG . 33.8 mt-10 -81.23 160.54 24.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.487 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 152' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' B' ' 152' ' ' ASP . 0.0 OUTLIER -82.72 -17.48 44.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.66 -179.823 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -105.27 40.87 2.32 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.254 -0.739 . . . . 0.0 111.254 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 154' ' ' ARG . . . . . 0.461 ' NH2' ' OE1' ' B' ' 151' ' ' GLU . 30.4 mmt-85 -139.57 167.77 21.35 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 17.7 p -113.04 158.14 20.68 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.961 0.41 . . . . 0.0 110.822 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 91.9 mt -55.99 -26.83 50.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.634 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 9.7 t -69.66 -43.32 72.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.713 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -50.32 -42.11 52.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.708 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -86.42 5.23 36.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.578 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 160' ' ' ASN . . . . . 0.52 ' O ' ' NE2' ' B' ' 162' ' ' GLN . 7.1 m-80 62.94 15.15 8.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.801 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 69.8 mt -59.51 109.41 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.398 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 162' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' B' ' 160' ' ' ASN . 51.0 mm-40 -83.9 -156.98 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.766 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -85.76 157.25 20.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.77 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 56.58 31.48 19.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.809 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 36.4 m -82.35 136.7 34.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.561 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 4.0 m -88.47 108.77 19.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.615 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 12.1 mt -101.93 127.94 48.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.549 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 168' ' ' HIS . . . . . 0.648 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -83.55 115.95 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.25 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 169' ' ' LEU . . . . . 0.435 HD12 ' O ' ' B' ' 142' ' ' ARG . 33.0 tp -92.1 125.17 36.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.438 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.2 t -132.11 157.06 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.3 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.661 ' CD1' ' HE ' ' A' ' 40' ' ' ARG . 13.4 mt -83.0 121.15 26.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.641 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -75.79 61.55 1.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.522 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 173' ' ' LEU . . . . . 0.579 HD13 ' CD1' ' A' ' 43' ' ' PHE . 18.2 mt -43.85 104.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.595 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 174' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' B' ' 173' ' ' LEU . 20.5 mmm180 47.19 -175.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.537 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 173.04 -56.56 0.15 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 201' ' ' MET . . . . . 0.481 ' N ' ' O ' ' C' ' 217' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -87.35 122.23 30.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.422 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 21.1 pt -111.5 148.74 14.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.762 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -98.35 139.34 34.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.543 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 62.9 t -125.63 112.87 32.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.437 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -80.29 118.7 22.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.506 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 207' ' ' THR . . . . . 0.46 HG23 ' O ' ' C' ' 211' ' ' LYS . 29.9 p -72.2 -165.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.417 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 208' ' ' LEU . . . . . 0.981 HD22 ' H ' ' C' ' 208' ' ' LEU . 0.5 OUTLIER -81.09 -54.77 5.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.464 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 82.8 p -57.54 -47.28 82.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.463 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 145.75 8.4 0.32 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 211' ' ' LYS . . . . . 0.46 ' O ' HG23 ' C' ' 207' ' ' THR . 81.0 tttt -83.95 120.85 26.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.799 0.333 . . . . 0.0 110.627 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 22.6 m -85.61 156.1 20.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.461 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 2.4 mt -138.67 127.27 29.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.655 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 32.4 m -96.47 111.44 23.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.195 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 21.0 mt -116.05 135.13 54.23 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.998 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 216' ' ' GLU . . . . . 0.495 ' O ' ' NZ ' ' C' ' 229' ' ' LYS . 57.7 mt-10 -79.95 122.38 26.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.092 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 217' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' C' ' 201' ' ' MET . 9.4 m -146.8 169.41 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.951 0.405 . . . . 0.0 111.039 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 218' ' ' GLU . . . . . 0.615 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 71.4 mt-10 -123.19 150.37 59.75 Favored Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.939 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.14 -24.42 2.38 Favored 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.577 2.184 . . . . 0.0 112.457 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 3.4 p -84.77 -25.42 28.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.049 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 221' ' ' ASP . . . . . 0.615 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 9.6 m-20 -44.33 135.44 4.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.953 0.406 . . . . 0.0 110.658 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 222' ' ' THR . . . . . 0.475 ' O ' ' N ' ' C' ' 225' ' ' ASN . 18.2 p -89.76 137.15 32.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.574 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 223' ' ' ILE . . . . . 0.449 HG22 ' NZ ' ' C' ' 227' ' ' LYS . 21.1 mm -40.74 -53.02 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.557 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -50.41 -35.91 30.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.257 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 225' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' C' ' 222' ' ' THR . 0.9 OUTLIER -65.46 -39.71 92.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.029 179.43 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.34 -44.42 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.855 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 227' ' ' LYS . . . . . 0.449 ' NZ ' HG22 ' C' ' 223' ' ' ILE . 42.4 mttp -57.17 -38.97 74.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.021 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.33 -41.22 98.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.12 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 229' ' ' LYS . . . . . 0.495 ' NZ ' ' O ' ' C' ' 216' ' ' GLU . 54.0 mttt -60.48 -43.8 96.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.094 179.536 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 59.5 mt -67.35 -21.86 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.452 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -76.37 -32.07 58.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.138 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -77.39 -30.89 53.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.423 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -82.58 -55.51 4.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -83.96 -101.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.514 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 235' ' ' GLY . . . . . 0.446 ' H ' ' H ' ' C' ' 236' ' ' ILE . . . 172.01 8.21 0.02 OUTLIER Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 236' ' ' ILE . . . . . 0.535 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 55.8 mt -87.95 120.17 70.69 Favored Pre-proline 0 C--N 1.328 -0.338 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.11 149.37 85.17 Favored 'Trans proline' 0 C--N 1.315 -1.21 0 C-N-CA 121.46 1.44 . . . . 0.0 111.576 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 238' ' ' PRO . . . . . 0.492 ' C ' ' H ' ' C' ' 240' ' ' GLN . 2.7 Cg_endo -49.94 -55.55 4.0 Favored 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.296 1.997 . . . . 0.0 111.822 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -50.78 -9.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.699 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 240' ' ' GLN . . . . . 0.492 ' H ' ' C ' ' C' ' 238' ' ' PRO . 81.7 mt-30 -119.56 31.15 6.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.503 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 241' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 72.2 mt-30 -134.41 169.72 16.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.622 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 242' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -170.4 150.37 3.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.906 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 15.2 mt -128.12 132.33 48.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.112 0.482 . . . . 0.0 110.909 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.7 mt -128.54 120.35 52.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.276 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 245' ' ' PHE . . . . . 0.527 ' CZ ' ' OD2' ' A' ' 25' ' ' ASP . 34.1 t80 -107.83 78.09 1.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.708 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 246' ' ' ALA . . . . . 0.482 ' C ' ' H ' ' C' ' 248' ' ' LYS . . . 68.7 67.29 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 247' ' ' GLY . . . . . 0.512 ' H ' ' HB3' ' D' ' 331' ' ' CYS . . . 70.13 -15.52 1.02 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 248' ' ' LYS . . . . . 0.482 ' H ' ' C ' ' C' ' 246' ' ' ALA . 46.1 mtmt -86.63 93.11 9.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.738 0.304 . . . . 0.0 110.75 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -70.98 127.01 31.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.173 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 9.5 mt -86.44 138.4 31.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.879 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -85.02 159.16 20.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.548 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 252' ' ' ASP . . . . . 0.437 ' OD2' ' NH2' ' C' ' 272' ' ' ARG . 0.4 OUTLIER -80.72 -1.32 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.853 -179.776 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -122.91 38.42 2.52 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.03 176.05 9.04 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 255' ' ' THR . . . . . 0.495 ' C ' ' H ' ' C' ' 257' ' ' SER . 20.6 p -119.23 158.4 26.08 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.601 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 93.6 mt -60.26 -0.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.581 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 257' ' ' SER . . . . . 0.495 ' H ' ' C ' ' C' ' 255' ' ' THR . 44.7 t -96.23 -22.4 17.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.618 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -79.78 12.81 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.641 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -140.62 7.66 2.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.598 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 59.63 23.64 12.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.729 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 79.6 mt -71.14 103.02 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.446 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -81.57 -157.75 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.729 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -84.22 157.04 21.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.668 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 57.31 34.27 24.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.811 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 35.5 m -88.77 135.53 33.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.637 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 19.2 m -89.49 118.05 28.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.445 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 10.9 mt -110.29 124.77 52.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.79 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 268' ' ' HIS . . . . . 0.577 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.7 OUTLIER -77.69 109.85 12.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.267 179.722 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 13.0 tp -78.81 142.86 36.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.756 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 270' ' ' VAL . . . . . 0.662 HG12 ' H ' ' C' ' 271' ' ' LEU . 6.4 t -145.95 173.36 3.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.384 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 271' ' ' LEU . . . . . 0.662 ' H ' HG12 ' C' ' 270' ' ' VAL . 50.8 mt -110.82 122.88 48.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.513 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 272' ' ' ARG . . . . . 0.437 ' NH2' ' OD2' ' C' ' 252' ' ' ASP . 17.9 ttm180 -84.6 110.62 18.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.615 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 273' ' ' LEU . . . . . 0.415 ' CD1' ' CG ' ' D' ' 343' ' ' PHE . 9.0 mt -82.1 143.86 31.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.64 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -78.68 -172.25 2.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.59 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . 167.01 -38.44 0.24 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 276' ' ' CYS . . . . . 0.457 ' SG ' ' O ' ' C' ' 276' ' ' CYS . 21.1 p . . . . . 0 C--O 1.221 -0.413 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.578 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.656 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 310' ' ' THR . . . . . 0.525 ' O ' ' N ' ' D' ' 312' ' ' LYS . 18.1 p -81.89 98.29 8.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.523 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 311' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -62.26 69.81 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.804 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 312' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' D' ' 310' ' ' THR . 13.1 mmmt -134.97 170.8 15.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.508 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 313' ' ' TYR . . . . . 0.475 ' CD1' ' N ' ' D' ' 313' ' ' TYR . 8.3 m-85 -93.43 135.49 34.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.567 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -80.1 92.78 5.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.465 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 12.2 mt -101.62 45.29 0.97 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.505 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 15.0 m -82.98 -8.32 59.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.785 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -136.05 74.99 1.53 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.738 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -129.96 165.86 21.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.354 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -110.28 164.2 12.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.629 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -61.85 -49.59 75.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.448 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -61.44 -42.57 98.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.71 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -57.99 -54.81 42.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.693 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.533 HD21 ' CD ' ' D' ' 342' ' ' GLU . 14.2 mt -58.3 -60.34 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.561 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 324' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -53.0 -41.7 64.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.473 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 325' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' D' ' 329' ' ' THR . 5.1 t70 -65.5 -47.62 75.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.561 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 326' ' ' THR . . . . . 0.56 ' O ' ' N ' ' D' ' 330' ' ' SER . 57.2 m -53.37 -47.82 69.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.697 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 88.4 mt -70.93 -31.44 45.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.561 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 328' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -87.7 -4.62 58.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.445 ' N ' ' O ' ' D' ' 325' ' ' ASP . 71.4 p -127.41 -15.88 5.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.947 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 330' ' ' SER . . . . . 0.56 ' N ' ' O ' ' D' ' 326' ' ' THR . 1.9 t -114.36 165.48 12.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.062 0.458 . . . . 0.0 110.815 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 331' ' ' CYS . . . . . 0.512 ' HB3' ' H ' ' C' ' 247' ' ' GLY . 8.9 p -134.61 11.82 3.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.986 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.44 90.89 0.54 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.446 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 333' ' ' ILE . . . . . 0.691 ' HA ' HD12 ' D' ' 336' ' ' LEU . 2.7 mt -38.0 -38.51 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.856 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -59.05 -58.34 9.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.214 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.26 -44.2 95.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.163 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 336' ' ' LEU . . . . . 0.691 HD12 ' HA ' ' D' ' 333' ' ' ILE . 71.0 mt -50.54 -45.04 56.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.335 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -67.96 -45.89 72.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.483 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 338' ' ' ALA . . . . . 0.461 ' HA ' ' HZ1' ' D' ' 312' ' ' LYS . . . -61.43 -46.57 89.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.625 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 339' ' ' CYS . . . . . . . . . . . . . 84.0 m -61.43 -53.28 58.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.364 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 340' ' ' ARG . . . . . 0.496 ' HD2' ' H ' ' C' ' 271' ' ' LEU . 7.2 mtp180 -55.86 -35.32 66.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.266 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -64.35 -53.4 49.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.607 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 342' ' ' GLU . . . . . 0.533 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.5 pt-20 -67.42 -35.9 80.17 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.55 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 343' ' ' PHE . . . . . 0.415 ' CG ' ' CD1' ' C' ' 273' ' ' LEU . 1.7 t80 -60.64 -45.06 95.5 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.295 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 42.2 m170 -67.5 -53.39 29.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.392 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -45.89 -55.47 6.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.407 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 74.5 mtt-85 -46.47 -42.86 16.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.448 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 40.4 mt -73.5 -28.64 62.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.538 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -70.24 -66.99 0.53 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.432 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 349' ' ' VAL . . . . . 0.514 ' O ' ' CD2' ' D' ' 350' ' ' TYR . 2.1 t -78.71 -136.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.411 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 350' ' ' TYR . . . . . 0.514 ' CD2' ' O ' ' D' ' 349' ' ' VAL . 66.1 m-85 -160.08 41.17 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.525 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 351' ' ' HIS . . . . . 0.418 ' OXT' ' O ' ' D' ' 350' ' ' TYR . 96.6 m-70 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.597 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.67 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.6 m -154.9 90.13 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.359 . . . . 0.0 110.474 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' CB ' ' NZ ' ' A' ' 11' ' ' LYS . 2.6 ttmp? -83.02 110.92 18.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.524 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -64.62 -172.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.485 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -123.08 148.87 45.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.514 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 22.6 p30 -78.97 92.84 4.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.492 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.426 ' O ' ' OE2' ' A' ' 42' ' ' GLU . 20.7 mt -100.1 44.98 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.67 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.9 m -90.1 -26.41 20.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.698 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -97.87 40.55 1.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.775 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -110.28 165.36 11.83 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.559 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.518 ' N ' ' OE1' ' A' ' 22' ' ' GLU . 41.0 mttm -115.02 167.57 10.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.581 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -62.18 -48.31 80.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.378 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.6 -38.7 91.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.741 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 19' ' ' LYS . 79.4 mt-10 -62.17 -56.71 16.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.757 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.531 HD21 ' CD ' ' A' ' 42' ' ' GLU . 14.6 mt -56.07 -56.21 23.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.699 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -53.03 -53.25 52.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.548 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 29' ' ' THR . 17.4 m-20 -52.81 -51.09 62.19 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.49 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.624 ' O ' ' N ' ' A' ' 30' ' ' SER . 38.6 m -51.32 -56.69 11.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.528 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.2 mt -59.61 -25.85 32.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.437 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -95.38 -5.64 42.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.283 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 25' ' ' ASP . 30.5 p -135.16 3.61 3.15 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.228 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.624 ' N ' ' O ' ' A' ' 26' ' ' THR . 7.0 t -115.16 167.28 10.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.97 0.414 . . . . 0.0 110.88 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.442 ' SG ' ' C ' ' B' ' 147' ' ' GLY . 75.3 m -144.22 36.38 1.23 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.363 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.45 107.23 16.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.572 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.486 HD13 ' N ' ' A' ' 33' ' ' ILE . 3.4 mm -41.98 -42.39 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.5 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.63 -58.33 9.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.441 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.494 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 40.7 mt -58.69 -46.54 87.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.287 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.8 mt -58.05 -48.1 81.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.364 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.43 -49.15 64.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.685 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.33 -42.71 99.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.563 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 70.7 m -60.36 -49.46 77.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.562 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.569 ' HE ' HD21 ' B' ' 173' ' ' LEU . 16.9 mtp-105 -64.64 -32.18 73.73 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.458 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -62.64 -54.98 31.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.443 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.531 ' CD ' HD21 ' A' ' 23' ' ' LEU . 4.0 pt-20 -64.39 -36.3 83.69 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.447 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.446 ' CG ' HD12 ' B' ' 173' ' ' LEU . 1.8 t80 -57.49 -51.48 69.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.119 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.504 ' CE1' ' NH2' ' A' ' 40' ' ' ARG . 16.6 m170 -62.57 -49.16 76.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.287 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.99 -39.85 42.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.236 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.413 ' NH1' ' HE2' ' A' ' 51' ' ' HIS . 8.8 mtp85 -63.87 -43.51 95.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.664 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.45 -21.21 61.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.418 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -76.04 -58.19 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.471 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.1 m -75.1 -156.39 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.542 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.438 ' CD2' ' O ' ' A' ' 50' ' ' TYR . 27.2 p90 -151.4 117.55 5.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.531 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.413 ' HE2' ' NH1' ' A' ' 46' ' ' ARG . 37.1 m80 . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.57 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.528 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -93.99 107.68 19.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.629 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 17.8 pt -99.1 148.09 6.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.533 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' PHE . . . . . 0.429 ' HD1' ' HG1' ' B' ' 114' ' ' THR . 67.2 m-85 -103.29 146.06 29.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.573 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 46.2 t -126.95 104.16 12.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.181 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.26 158.82 27.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.649 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 39.9 p -126.94 -175.94 3.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.291 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.89 HD22 ' H ' ' B' ' 108' ' ' LEU . 1.2 mm? -76.66 -33.7 58.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.403 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 33.7 p -79.2 9.24 4.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.572 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 86.61 -28.85 5.15 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -45.83 160.66 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 110.522 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 112' ' ' THR . . . . . 0.425 HG22 ' N ' ' B' ' 113' ' ' ILE . 16.7 m -142.35 159.0 43.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.47 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.425 ' N ' HG22 ' B' ' 112' ' ' THR . 2.6 mt -140.39 128.2 24.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.696 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 114' ' ' THR . . . . . 0.429 ' HG1' ' HD1' ' B' ' 104' ' ' PHE . 5.8 m -100.46 124.49 46.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.248 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.416 HD22 ' NZ ' ' B' ' 133' ' ' LYS . 28.1 mt -130.2 136.11 48.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.885 0.374 . . . . 0.0 110.822 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -81.79 124.73 29.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.155 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 117' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' B' ' 101' ' ' MET . 9.2 m -147.05 -175.81 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.919 0.39 . . . . 0.0 110.868 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.594 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 14.6 mm-40 -132.23 147.4 65.59 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.918 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.77 -18.3 0.51 Allowed 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 122.419 2.079 . . . . 0.0 112.211 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 3.6 p -89.29 -24.33 22.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.852 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 121' ' ' ASP . . . . . 0.594 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 1.2 m-20 -45.18 139.07 3.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.99 0.424 . . . . 0.0 110.66 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 122' ' ' THR . . . . . 0.458 ' O ' ' N ' ' B' ' 125' ' ' ASN . 19.2 p -89.68 135.68 33.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.698 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 20.8 mm -42.69 -47.69 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.316 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -53.67 -37.11 62.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.102 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 125' ' ' ASN . . . . . 0.504 ' OD1' ' NZ ' ' B' ' 129' ' ' LYS . 38.2 t-20 -64.94 -40.59 95.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.191 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 85.5 t -63.11 -45.56 98.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.155 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -56.85 -39.11 73.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.113 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 128' ' ' ALA . . . . . 0.417 ' O ' ' OD1' ' B' ' 132' ' ' ASP . . . -63.22 -44.82 94.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.295 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.504 ' NZ ' ' OD1' ' B' ' 125' ' ' ASN . 49.2 mttp -57.83 -52.46 65.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.324 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 87.1 mt -55.0 -43.7 70.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.414 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 131' ' ' GLN . . . . . 0.583 ' NE2' ' O ' ' B' ' 131' ' ' GLN . 1.7 tm0? -57.3 -29.56 64.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.226 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 132' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' B' ' 128' ' ' ALA . 3.8 m-20 -72.5 -40.38 66.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.471 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 133' ' ' LYS . . . . . 0.416 ' NZ ' HD22 ' B' ' 115' ' ' LEU . 11.7 mptt -70.69 -64.27 0.93 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.305 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -78.68 -83.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.605 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 158.5 -7.49 0.17 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 48.6 mt -56.45 114.55 7.97 Favored Pre-proline 0 C--N 1.328 -0.355 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -62.15 147.68 94.61 Favored 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 121.467 1.445 . . . . 0.0 111.479 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.486 ' C ' ' H ' ' B' ' 140' ' ' GLN . 2.8 Cg_endo -49.77 -41.21 47.01 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.262 1.974 . . . . 0.0 111.801 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.34 10.99 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.72 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.486 ' H ' ' C ' ' B' ' 138' ' ' PRO . 60.7 mt-30 -141.23 41.96 1.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.478 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -134.43 166.12 23.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.653 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.526 ' NH2' ' OE1' ' B' ' 149' ' ' GLN . 34.9 ttt85 -170.04 108.05 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.32 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 16.3 mt -95.6 135.58 37.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.02 0.438 . . . . 0.0 111.074 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.7 mt -128.16 141.97 45.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.075 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 145' ' ' PHE . . . . . 0.5 ' C ' ' H ' ' B' ' 147' ' ' GLY . 39.5 t80 -158.01 147.21 19.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.922 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 146' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' B' ' 145' ' ' PHE . . . 66.88 -9.98 0.33 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.285 179.423 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 147' ' ' GLY . . . . . 0.5 ' H ' ' C ' ' B' ' 145' ' ' PHE . . . 110.08 24.02 5.89 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -146.04 157.07 43.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.905 0.384 . . . . 0.0 110.629 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 149' ' ' GLN . . . . . 0.526 ' OE1' ' NH2' ' B' ' 142' ' ' ARG . 34.8 tt0 -84.7 135.89 33.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.353 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 12.9 mt -86.27 130.82 34.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.637 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 151' ' ' GLU . . . . . 0.417 ' CD ' ' H ' ' B' ' 152' ' ' ASP . 1.3 tm-20 -73.61 159.57 32.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.424 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 152' ' ' ASP . . . . . 0.417 ' H ' ' CD ' ' B' ' 151' ' ' GLU . 1.7 m-20 -78.15 -40.36 38.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.719 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -85.48 45.66 3.53 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 22.7 mmt-85 -139.74 174.25 10.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.686 0.279 . . . . 0.0 110.412 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 31.0 p -119.92 166.91 12.7 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.902 0.382 . . . . 0.0 110.825 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.2 -0.84 3.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.695 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 157' ' ' SER . . . . . 0.437 ' C ' ' H ' ' B' ' 159' ' ' TYR . 46.0 t -93.4 -33.76 13.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.635 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.63 15.46 0.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.636 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 159' ' ' TYR . . . . . 0.437 ' H ' ' C ' ' B' ' 157' ' ' SER . 59.5 m-85 -140.74 8.67 2.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.507 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 55.85 30.01 15.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.795 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 97.0 mt -81.17 99.99 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.453 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -82.65 -157.47 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.704 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -82.97 161.58 21.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.764 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 54.26 18.01 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.527 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 18.1 m -81.23 133.79 35.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.536 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 166' ' ' THR . . . . . 0.469 ' O ' ' CD1' ' B' ' 145' ' ' PHE . 5.9 m -81.86 154.76 25.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.604 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.2 mt -139.62 114.97 9.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.124 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 168' ' ' HIS . . . . . 0.635 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.1 OUTLIER -69.74 116.99 10.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.433 -179.801 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.87 127.48 41.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.553 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 1.4 t -136.35 140.29 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.276 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.876 HD22 ' H ' ' B' ' 171' ' ' LEU . 0.3 OUTLIER -91.56 136.09 33.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.745 -179.476 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -89.78 97.85 11.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.394 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 173' ' ' LEU . . . . . 0.569 HD21 ' HE ' ' A' ' 40' ' ' ARG . 16.2 mt -61.11 128.95 38.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.532 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -75.28 141.64 43.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.564 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 173.47 152.93 9.2 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 201' ' ' MET . . . . . 0.515 ' N ' ' O ' ' C' ' 217' ' ' VAL . 1.9 ptt? . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -89.92 111.37 22.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.604 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 6.1 pt -103.74 150.16 7.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.65 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -94.56 149.93 20.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.336 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 71.5 t -136.85 106.54 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.352 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 206' ' ' LYS . . . . . 0.446 ' CB ' ' NZ ' ' C' ' 206' ' ' LYS . 7.2 mtpm? -91.89 140.61 29.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.643 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 58.3 p -89.24 -168.26 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.23 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 208' ' ' LEU . . . . . 0.946 HD22 ' H ' ' C' ' 208' ' ' LEU . 0.4 OUTLIER -86.56 23.12 1.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.467 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 17.7 p -136.51 -38.95 0.66 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.446 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 141.64 -0.73 1.71 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -69.52 111.56 5.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.645 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 22.6 m -97.32 141.71 30.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.516 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.86 127.06 55.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.633 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 23.0 m -91.78 112.39 24.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.185 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 17.8 mt -111.33 129.08 56.11 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.052 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -85.03 112.22 20.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.031 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 217' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' C' ' 201' ' ' MET . 23.6 m -137.5 -162.05 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.026 0.441 . . . . 0.0 111.001 -179.336 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 218' ' ' GLU . . . . . 0.524 ' N ' ' OD2' ' C' ' 221' ' ' ASP . 6.5 mt-10 -141.01 170.37 9.56 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.615 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -74.51 -14.64 22.34 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 C-N-CA 122.351 2.034 . . . . 0.0 112.499 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 8.3 t -100.09 -11.04 20.86 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.924 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 221' ' ' ASP . . . . . 0.524 ' OD2' ' N ' ' C' ' 218' ' ' GLU . 45.6 m-20 -59.88 142.55 53.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.935 0.397 . . . . 0.0 110.533 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 23.4 p -84.61 135.81 34.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 23.8 mm -45.96 -49.49 4.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.263 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -50.27 -40.99 49.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.294 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 225' ' ' ASN . . . . . 0.501 ' OD1' ' NZ ' ' C' ' 229' ' ' LYS . 44.6 t-20 -62.63 -36.64 83.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.026 179.503 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 16.5 t -64.85 -51.75 63.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.023 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -51.65 -38.14 53.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.14 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.91 -43.91 94.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.196 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 229' ' ' LYS . . . . . 0.501 ' NZ ' ' OD1' ' C' ' 225' ' ' ASN . 38.6 mttp -57.68 -39.84 78.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.005 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 9.0 mt -67.17 -34.95 72.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.0 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -63.61 -29.2 70.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.143 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -79.78 -30.68 40.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.496 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 48.5 mmtt -77.55 -62.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.674 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -87.44 -107.32 0.07 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.706 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -171.96 17.17 0.05 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 236' ' ' ILE . . . . . 0.495 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 18.0 mt -91.65 112.92 56.88 Favored Pre-proline 0 CA--C 1.532 0.27 0 N-CA-C 110.472 -0.196 . . . . 0.0 110.472 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -63.4 152.72 78.67 Favored 'Trans proline' 0 C--N 1.314 -1.249 0 C-N-CA 121.611 1.541 . . . . 0.0 111.662 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 238' ' ' PRO . . . . . 0.525 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.7 Cg_endo -47.34 -66.18 0.15 Allowed 'Trans proline' 0 C--N 1.31 -1.499 0 C-N-CA 122.608 2.206 . . . . 0.0 111.923 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -42.38 -20.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.732 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 240' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' C' ' 238' ' ' PRO . 67.3 mt-30 -108.57 34.23 3.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.631 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 241' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' C' ' 238' ' ' PRO . 61.4 mt-30 -134.56 162.64 31.72 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.649 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 242' ' ' ARG . . . . . . . . . . . . . 43.7 ttt85 -170.2 109.02 0.37 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.98 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 22.0 mt -93.13 137.85 32.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.138 0.494 . . . . 0.0 111.255 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 244' ' ' ILE . . . . . 0.448 HG21 ' SG ' ' D' ' 331' ' ' CYS . 1.7 mt -125.07 145.82 31.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.679 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 245' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -132.45 72.92 1.5 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.841 0.353 . . . . 0.0 111.222 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 60.11 87.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.073 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 247' ' ' GLY . . . . . . . . . . . . . . . 50.95 37.86 36.98 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -149.8 92.65 1.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.738 0.304 . . . . 0.0 110.645 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 249' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' C' ' 250' ' ' LEU . 20.3 tm0? -70.28 121.14 17.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.045 179.539 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 250' ' ' LEU . . . . . 0.522 ' O ' ' NE2' ' C' ' 249' ' ' GLN . 10.2 mt -76.75 123.19 25.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.337 . . . . 0.0 110.881 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -72.82 159.48 33.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.318 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 252' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' C' ' 252' ' ' ASP . 0.4 OUTLIER -79.69 -36.43 37.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.974 -179.751 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -90.07 38.9 3.15 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -139.68 -179.7 6.07 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 255' ' ' THR . . . . . 0.478 ' HG1' ' HG ' ' C' ' 257' ' ' SER . 82.7 p -118.4 175.45 5.71 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.826 0.346 . . . . 0.0 110.777 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 70.3 mt -76.43 1.51 16.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.777 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 257' ' ' SER . . . . . 0.494 ' C ' ' H ' ' C' ' 259' ' ' TYR . 2.9 p -93.86 -33.37 13.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.757 0.313 . . . . 0.0 110.637 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -70.15 14.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.638 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 259' ' ' TYR . . . . . 0.494 ' H ' ' C ' ' C' ' 257' ' ' SER . 76.3 m-85 -140.61 9.76 2.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.548 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 260' ' ' ASN . . . . . 0.46 ' O ' ' ND2' ' C' ' 260' ' ' ASN . 7.7 t30 51.23 38.05 20.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.745 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 80.9 mt -84.33 103.63 11.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.479 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -81.62 -158.83 0.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.637 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -85.2 157.66 20.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.633 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 58.42 26.52 14.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.8 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 30.6 m -82.14 137.16 35.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.541 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 3.6 m -83.26 120.06 25.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.644 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 3.3 mp -114.35 127.02 55.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.219 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 268' ' ' HIS . . . . . 0.683 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.0 OUTLIER -84.9 116.93 23.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.253 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 19.1 tp -93.0 116.92 29.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.386 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -122.77 134.41 66.03 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 271' ' ' LEU . . . . . 0.625 ' N ' HD12 ' C' ' 271' ' ' LEU . 8.1 mp -74.63 108.41 7.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.671 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 272' ' ' ARG . . . . . 0.632 ' NE ' HH22 ' D' ' 324' ' ' ARG . 39.5 ttt180 -67.64 100.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.532 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 273' ' ' LEU . . . . . 0.421 HD13 ' CD1' ' D' ' 343' ' ' PHE . 22.3 mt -79.63 91.79 5.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.613 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -78.12 102.74 7.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.622 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 275' ' ' GLY . . . . . 0.423 ' O ' ' OXT' ' C' ' 276' ' ' CYS . . . -77.64 138.53 21.75 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 276' ' ' CYS . . . . . 0.423 ' OXT' ' O ' ' C' ' 275' ' ' GLY . 52.4 t . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.578 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 309' ' ' GLY . . . . . 0.471 ' C ' ' H ' ' D' ' 311' ' ' LYS . . . . . . . . 0 CA--C 1.523 0.59 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 11.5 t -76.0 35.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.993 0.425 . . . . 0.0 110.46 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 311' ' ' LYS . . . . . 0.471 ' H ' ' C ' ' D' ' 309' ' ' GLY . 58.5 tttp -172.44 105.91 0.17 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.515 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 312' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -71.81 -171.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.61 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -91.33 144.72 25.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -79.53 92.96 5.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.578 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 14.6 mt -104.64 31.39 4.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.553 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 27.5 p -82.53 18.56 1.46 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.654 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -146.13 40.95 1.16 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.635 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -108.94 174.69 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.519 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -118.02 167.04 11.82 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.61 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -60.8 -48.28 82.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.529 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -66.41 -41.12 89.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -57.8 -49.36 76.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.74 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.587 HD21 ' CD ' ' D' ' 342' ' ' GLU . 14.5 mt -65.13 -56.77 11.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.704 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 324' ' ' ARG . . . . . 0.632 HH22 ' NE ' ' C' ' 272' ' ' ARG . 2.6 ttt85 -53.08 -44.76 67.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.66 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 325' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' D' ' 329' ' ' THR . 8.9 m-20 -58.96 -50.63 73.34 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.357 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 326' ' ' THR . . . . . 0.54 ' O ' ' N ' ' D' ' 330' ' ' SER . 19.1 m -53.33 -44.32 68.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.511 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 79.5 mt -74.82 -28.52 21.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.516 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 328' ' ' ASN . . . . . 0.533 ' N ' HD22 ' D' ' 328' ' ' ASN . 1.1 m-80 -92.06 -1.74 57.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.036 -179.632 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.467 ' N ' ' O ' ' D' ' 325' ' ' ASP . 80.7 p -132.85 -46.14 0.87 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.152 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 330' ' ' SER . . . . . 0.54 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.7 OUTLIER -71.66 170.59 13.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.114 0.483 . . . . 0.0 111.214 -179.39 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 331' ' ' CYS . . . . . 0.448 ' SG ' HG21 ' C' ' 244' ' ' ILE . 90.6 m -147.54 40.23 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.388 -179.473 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.05 99.24 8.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.583 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 333' ' ' ILE . . . . . 0.408 ' N ' HD13 ' D' ' 333' ' ' ILE . 6.1 mm -38.66 -37.98 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.635 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -61.19 -58.78 6.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.28 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 335' ' ' LEU . . . . . 0.486 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 12.0 mt -60.19 -49.18 78.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.259 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 73.2 mt -50.45 -45.37 55.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.486 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -64.65 -49.26 71.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.648 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -61.09 -43.98 98.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.39 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 339' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 67.4 m -57.03 -53.45 57.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.298 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 12.8 mtp85 -55.96 -43.44 77.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.456 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -54.95 -58.5 7.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 342' ' ' GLU . . . . . 0.587 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.6 pt-20 -63.61 -34.34 77.6 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.854 -179.481 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 343' ' ' PHE . . . . . 0.421 ' CD1' HD13 ' C' ' 273' ' ' LEU . 2.4 t80 -63.71 -43.14 97.44 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.539 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -68.28 -47.97 66.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -52.05 -54.69 27.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.31 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -46.35 -36.63 6.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.57 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 76.0 mt -77.0 -53.78 7.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.499 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -46.28 -55.26 7.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.544 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 349' ' ' VAL . . . . . 0.446 ' O ' ' CD2' ' D' ' 350' ' ' TYR . 2.6 t -77.71 -130.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.393 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 350' ' ' TYR . . . . . 0.446 ' CD2' ' O ' ' D' ' 349' ' ' VAL . 76.6 m-85 -155.74 27.6 0.38 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.552 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 351' ' ' HIS . . . . . . . . . . . . . 49.2 m170 . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.543 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.6 m -154.03 90.66 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 110.478 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -153.09 157.49 40.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.446 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.541 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 10.6 mptt -70.21 -169.19 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.38 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -139.21 131.22 27.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.507 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -79.5 92.83 5.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.618 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.1 mt -97.41 45.14 1.04 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.464 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.3 m -82.76 15.59 2.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -171.24 82.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.929 0.395 . . . . 0.0 110.757 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -131.17 161.4 32.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.225 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.5 mttm -108.5 168.51 9.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.777 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.469 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 16.8 t80 -65.79 -47.16 76.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.52 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.81 -34.63 76.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.677 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -68.96 -55.01 12.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.652 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.569 HD21 ' CD ' ' A' ' 42' ' ' GLU . 14.8 mt -57.86 -55.7 31.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.585 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.671 HH21 ' NH1' ' B' ' 172' ' ' ARG . 7.0 tpt85 -54.76 -49.55 70.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.431 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.531 ' OD2' ' CE2' ' C' ' 245' ' ' PHE . 3.9 t70 -57.9 -49.65 76.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.423 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.471 ' O ' ' CB ' ' A' ' 30' ' ' SER . 19.0 m -52.77 -43.51 65.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.662 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.4 mt -76.23 -23.6 15.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.677 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 1.9 m-80 -99.32 0.83 43.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.022 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 25' ' ' ASP . 75.9 p -133.46 -24.12 1.82 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.005 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 26' ' ' THR . 0.9 OUTLIER -103.43 157.96 16.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.891 0.377 . . . . 0.0 110.925 -179.751 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.55 ' SG ' ' CG ' ' B' ' 168' ' ' HIS . 29.0 t -129.5 29.47 5.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.355 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.1 m-20 -90.76 93.46 9.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.45 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.638 ' HA ' HD12 ' A' ' 36' ' ' LEU . 3.0 mt -38.73 -40.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.783 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -57.47 -58.91 6.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.308 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.3 mt -58.72 -43.34 90.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.041 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 33' ' ' ILE . 81.5 mt -52.71 -43.7 65.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.17 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.1 -49.07 68.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.325 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.85 94.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.415 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 85.0 m -61.6 -53.54 54.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.282 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.483 HH21 HD22 ' B' ' 171' ' ' LEU . 17.4 mtp-105 -53.62 -39.13 64.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.307 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -61.2 -60.26 4.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.667 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.569 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.9 pt-20 -62.79 -36.23 82.43 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.485 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.469 ' CG ' HD13 ' B' ' 173' ' ' LEU . 12.3 t80 -59.5 -41.2 89.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.428 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -72.91 -55.04 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.535 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -45.86 -45.72 15.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.591 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -52.39 -33.2 42.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.42 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.4 mt -86.78 -33.82 19.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.482 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -80.36 -72.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.624 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.43 ' H ' HG22 ' A' ' 49' ' ' VAL . 6.3 m -90.91 177.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.574 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' VAL . 95.0 m-85 37.38 65.0 0.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 6.2 p-80 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.007 -0.996 . . . . 0.0 110.503 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.513 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -90.44 120.04 31.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.577 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 21.6 pt -106.91 148.87 10.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.626 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -102.09 146.06 28.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.546 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 31.6 t -129.98 106.71 13.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.185 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 106' ' ' LYS . . . . . 0.515 ' NZ ' ' OG1' ' B' ' 112' ' ' THR . 34.7 mttm -95.49 131.39 41.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.64 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 21.7 p -95.81 -150.07 0.32 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.42 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.942 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.4 OUTLIER -85.6 -46.1 11.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.439 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 50.3 p -70.51 11.99 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.547 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 110' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' B' ' 108' ' ' LEU . . . 73.97 12.74 81.21 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -72.67 119.25 16.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.762 0.315 . . . . 0.0 110.551 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 112' ' ' THR . . . . . 0.515 ' OG1' ' NZ ' ' B' ' 106' ' ' LYS . 8.8 m -99.39 142.77 30.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.481 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 1.3 mt -133.09 124.69 50.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.541 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 6.4 m -94.15 125.13 38.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.254 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 27.3 mt -130.44 130.62 44.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.855 0.36 . . . . 0.0 110.861 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -77.31 121.4 23.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.119 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 117' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' B' ' 101' ' ' MET . 11.0 m -146.82 -175.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.916 -179.498 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.51 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 23.9 mm-40 -142.83 150.48 53.55 Favored Pre-proline 0 CA--C 1.53 0.204 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.178 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -46.71 -9.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.73 2.287 . . . . 0.0 112.47 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 120' ' ' SER . . . . . 0.497 ' N ' ' O ' ' B' ' 118' ' ' GLU . 2.2 p -96.88 -30.83 12.91 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.972 -0.291 . . . . 0.0 110.929 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 121' ' ' ASP . . . . . 0.51 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 2.4 m-20 -43.85 139.45 2.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.995 0.426 . . . . 0.0 110.822 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 67.6 p -87.86 138.31 31.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.516 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 22.3 mm -46.48 -44.78 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.378 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -56.42 -38.19 71.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.392 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -64.01 -41.35 97.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.05 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 46.2 t -62.23 -44.02 98.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.943 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 127' ' ' LYS . . . . . 0.559 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 55.4 mttm -56.77 -40.74 76.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.058 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.37 98.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.29 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.426 ' HB3' ' HZ3' ' B' ' 133' ' ' LYS . 58.5 mttm -58.13 -50.39 73.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.377 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 67.0 mt -57.05 -49.01 80.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.391 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 131' ' ' GLN . . . . . 0.433 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 1.0 OUTLIER -53.11 -30.72 38.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.343 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -71.05 -42.0 70.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.437 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 133' ' ' LYS . . . . . 0.426 ' HZ3' ' HB3' ' B' ' 129' ' ' LYS . 11.9 mptt -69.53 -64.08 0.95 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.24 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -77.11 -89.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.562 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 135' ' ' GLY . . . . . 0.41 ' H ' ' H ' ' B' ' 136' ' ' ILE . . . 161.41 5.01 0.05 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.41 ' H ' ' H ' ' B' ' 135' ' ' GLY . 37.6 mt -74.87 128.09 85.84 Favored Pre-proline 0 C--N 1.33 -0.28 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -56.04 150.15 49.06 Favored 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 121.666 1.577 . . . . 0.0 111.67 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -50.11 -39.37 51.27 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.336 2.024 . . . . 0.0 111.966 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.88 -44.65 80.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -79.15 31.36 0.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.559 ' NE2' ' O ' ' B' ' 127' ' ' LYS . 20.5 mt-30 -129.78 82.98 2.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.499 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.663 HH21 ' NH2' ' A' ' 24' ' ' ARG . 31.5 ttm-85 -90.05 113.86 25.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.588 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.401 HD12 ' HZ3' ' B' ' 127' ' ' LYS . 19.1 mt -94.54 131.37 40.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.526 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 144' ' ' ILE . . . . . 0.474 HG22 ' SG ' ' A' ' 31' ' ' CYS . 1.5 mt -124.88 142.75 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.528 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -164.85 148.39 8.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.736 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 61.58 20.17 11.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.022 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 75.48 27.62 63.11 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -146.62 148.89 32.55 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.837 0.351 . . . . 0.0 110.629 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -82.74 131.3 35.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.314 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 16.8 mt -79.23 136.89 37.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.38 . . . . 0.0 110.801 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -82.05 162.84 22.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.56 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.39 -41.9 15.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -83.2 41.14 2.88 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -139.67 179.98 6.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.765 0.317 . . . . 0.0 110.382 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 155' ' ' THR . . . . . 0.426 ' OG1' ' OD1' ' B' ' 158' ' ' ASP . 67.5 p -119.97 168.42 11.17 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.722 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.05 -40.15 94.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.707 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 157' ' ' SER . . . . . 0.506 ' C ' ' H ' ' B' ' 159' ' ' TYR . 5.7 t -58.38 -42.1 86.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.784 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 158' ' ' ASP . . . . . 0.426 ' OD1' ' OG1' ' B' ' 155' ' ' THR . 0.9 OUTLIER -54.85 -5.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.752 -179.738 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 159' ' ' TYR . . . . . 0.506 ' H ' ' C ' ' B' ' 157' ' ' SER . 69.6 m-85 -125.24 20.42 8.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.576 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 46.56 31.44 1.35 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.734 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 90.8 mt -79.81 102.09 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.426 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -79.32 -157.38 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.767 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -85.5 156.62 20.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.788 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 56.77 33.76 23.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.707 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 60.7 m -84.2 135.52 34.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.584 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 4.4 m -89.43 105.07 17.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.521 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.1 mt -92.34 129.37 38.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.712 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 168' ' ' HIS . . . . . 0.817 ' N ' ' CD2' ' B' ' 168' ' ' HIS . 1.4 m-70 -85.69 101.8 13.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.269 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 62.8 tp -81.93 141.77 33.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.654 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.3 t -144.27 158.59 15.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.384 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.611 ' N ' HD12 ' B' ' 171' ' ' LEU . 7.4 mp -100.1 105.89 17.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.454 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 172' ' ' ARG . . . . . 0.671 ' NH1' HH21 ' A' ' 24' ' ' ARG . 14.8 ttt85 -53.39 120.71 6.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.644 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 173' ' ' LEU . . . . . 0.469 HD13 ' CG ' ' A' ' 43' ' ' PHE . 28.3 mt -99.31 101.07 12.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.478 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 72.1 mmt-85 51.05 -165.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.513 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 161.97 48.87 0.02 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.655 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 201' ' ' MET . . . . . . . . . . . . . 1.6 ptt? . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -94.13 126.97 39.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.545 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 19.4 pt -116.23 149.85 18.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.647 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -98.64 140.66 32.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.687 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 87.8 t -129.22 109.27 18.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.41 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -94.7 133.13 38.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.651 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 63.5 p -87.47 -154.62 0.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.314 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 208' ' ' LEU . . . . . 0.919 HD22 ' H ' ' C' ' 208' ' ' LEU . 0.5 OUTLIER -84.96 -37.01 20.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.432 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 5.2 p -78.73 -4.66 50.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.534 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 93.85 21.92 27.12 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -81.22 111.77 17.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 110.492 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 19.8 m -90.09 141.99 28.15 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.722 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 2.8 mt -136.76 126.8 39.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.531 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 29.1 m -92.31 111.16 22.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.187 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 20.7 mt -115.61 132.79 56.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.963 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -80.4 123.22 27.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.155 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 217' ' ' VAL . . . . . . . . . . . . . 12.2 m -147.05 169.14 4.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.944 0.402 . . . . 0.0 110.901 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 218' ' ' GLU . . . . . 0.622 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 18.3 mp0 -124.7 149.4 62.19 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.08 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.39 -24.81 4.34 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.475 2.117 . . . . 0.0 112.374 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.6 p -92.45 10.46 29.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.062 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 221' ' ' ASP . . . . . 0.622 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 39.3 m-20 -82.59 135.96 34.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.348 . . . . 0.0 110.299 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 10.8 p -83.63 136.3 34.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 27.2 mm -45.16 -45.36 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.277 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -55.71 -36.24 66.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.152 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 225' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -65.3 -40.18 93.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.98 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 12.0 t -63.87 -54.44 31.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.003 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -48.18 -41.04 25.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.204 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -61.39 -46.0 92.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.29 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -56.16 -40.7 74.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.295 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 4.9 mt -64.27 -48.34 85.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.211 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -53.31 -28.61 29.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.247 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -78.51 -30.28 47.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.614 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -81.18 -66.71 0.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.59 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -80.66 -108.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.624 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -173.92 14.99 0.04 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 236' ' ' ILE . . . . . . . . . . . . . 45.4 mt -85.49 115.27 60.75 Favored Pre-proline 0 C--N 1.33 -0.282 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -62.79 149.69 90.54 Favored 'Trans proline' 0 C--N 1.314 -1.258 0 C-N-CA 121.57 1.514 . . . . 0.0 111.595 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 238' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.6 Cg_endo -48.29 -59.71 1.14 Allowed 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 122.362 2.041 . . . . 0.0 111.907 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -44.45 -21.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.61 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 240' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' C' ' 238' ' ' PRO . 77.0 mt-30 -109.08 38.03 2.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.627 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 241' ' ' GLN . . . . . 0.559 ' O ' ' NE ' ' C' ' 272' ' ' ARG . 69.7 mt-30 -134.65 159.43 41.26 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.489 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 242' ' ' ARG . . . . . 0.456 ' NH2' ' OD1' ' D' ' 328' ' ' ASN . 25.1 ttm180 -170.31 110.3 0.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.279 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 18.5 mt -89.21 131.54 35.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.184 0.516 . . . . 0.0 110.939 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 244' ' ' ILE . . . . . 0.511 HG22 ' SG ' ' D' ' 331' ' ' CYS . 2.0 mt -129.64 122.85 56.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.068 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 245' ' ' PHE . . . . . 0.531 ' CE2' ' OD2' ' A' ' 25' ' ' ASP . 26.7 t80 -107.23 82.55 1.69 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.998 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 51.33 80.17 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 247' ' ' GLY . . . . . 0.675 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 60.39 43.28 98.85 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -151.0 94.56 2.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.758 0.313 . . . . 0.0 110.7 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -74.59 119.04 18.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.112 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 10.8 mt -82.39 135.44 35.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.864 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -80.53 161.6 24.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.534 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.67 -20.22 40.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.001 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -105.59 39.78 2.73 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -139.49 175.42 9.58 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 255' ' ' THR . . . . . 0.419 ' OG1' ' OD1' ' C' ' 258' ' ' ASP . 24.5 p -114.49 165.32 12.87 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.886 0.374 . . . . 0.0 110.659 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.42 -48.46 81.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.697 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 257' ' ' SER . . . . . 0.495 ' C ' ' H ' ' C' ' 259' ' ' TYR . 11.5 p -53.19 -38.62 62.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.841 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 258' ' ' ASP . . . . . 0.419 ' OD1' ' OG1' ' C' ' 255' ' ' THR . 10.4 m-20 -54.81 -5.09 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.851 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 259' ' ' TYR . . . . . 0.495 ' H ' ' C ' ' C' ' 257' ' ' SER . 75.0 m-85 -129.45 22.58 5.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.611 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 48.9 29.04 2.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.796 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 92.1 mt -80.02 98.92 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.451 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -81.05 -157.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.732 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.16 161.22 22.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.728 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 55.54 33.93 22.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.691 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 39.7 m -87.84 131.23 34.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.58 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 24.1 m -90.74 117.72 29.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.583 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 10.7 mt -111.99 153.26 27.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.431 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 268' ' ' HIS . . . . . 0.419 ' NE2' HD11 ' D' ' 333' ' ' ILE . 59.3 m80 -109.59 120.3 42.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.844 0.354 . . . . 0.0 110.251 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 269' ' ' LEU . . . . . 0.674 HD23 ' N ' ' C' ' 270' ' ' VAL . 6.0 tt -93.0 123.39 36.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 -179.323 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 270' ' ' VAL . . . . . 0.674 ' N ' HD23 ' C' ' 269' ' ' LEU . 1.6 t -127.02 136.16 61.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.209 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 271' ' ' LEU . . . . . 0.696 ' N ' HD12 ' C' ' 271' ' ' LEU . 7.4 mp -78.35 134.01 37.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.769 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 272' ' ' ARG . . . . . 0.559 ' NE ' ' O ' ' C' ' 241' ' ' GLN . 13.6 mtt180 -73.16 140.17 46.85 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.307 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 273' ' ' LEU . . . . . 0.48 ' C ' ' H ' ' C' ' 275' ' ' GLY . 19.3 mt -116.06 60.59 0.72 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.531 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 23.3 ptt85 -72.01 39.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.593 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 275' ' ' GLY . . . . . 0.48 ' H ' ' C ' ' C' ' 273' ' ' LEU . . . 60.89 -123.81 33.75 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 276' ' ' CYS . . . . . 0.435 ' SG ' ' OXT' ' C' ' 276' ' ' CYS . 20.9 p . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.559 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.682 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 10.9 m -72.38 92.12 1.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.733 0.302 . . . . 0.0 110.587 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 311' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -138.64 107.56 5.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.402 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 312' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -128.73 -176.47 3.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.459 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -106.51 149.52 27.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.503 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 314' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' D' ' 314' ' ' ASP . 31.6 p30 -79.92 92.88 5.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.542 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 17.4 mt -98.14 39.36 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.513 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 7.2 t -80.91 6.29 13.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.668 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -147.45 72.33 1.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.657 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 11.1 m95 -132.14 165.74 23.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.395 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -109.31 158.22 18.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.43 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -56.37 -52.58 64.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.522 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -61.1 -44.73 96.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -53.46 -51.59 62.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.656 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.501 HD21 ' CD ' ' D' ' 342' ' ' GLU . 12.9 mt -60.0 -57.62 12.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.468 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 324' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -53.5 -53.02 57.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.642 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 325' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' D' ' 329' ' ' THR . 17.8 m-20 -56.31 -49.45 74.26 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.573 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 326' ' ' THR . . . . . 0.53 ' O ' ' N ' ' D' ' 330' ' ' SER . 64.1 m -50.94 -45.19 60.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.61 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 327' ' ' ILE . . . . . 0.43 HG23 HD22 ' D' ' 336' ' ' LEU . 95.1 mt -68.31 -33.99 63.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.61 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 328' ' ' ASN . . . . . 0.456 ' OD1' ' NH2' ' C' ' 242' ' ' ARG . 12.2 m-80 -92.91 1.45 57.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.915 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.509 ' N ' ' O ' ' D' ' 325' ' ' ASP . 73.6 p -129.81 -10.59 4.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.869 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 330' ' ' SER . . . . . 0.53 ' N ' ' O ' ' D' ' 326' ' ' THR . 3.0 t -118.7 170.04 9.31 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.967 0.413 . . . . 0.0 110.97 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 331' ' ' CYS . . . . . 0.675 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 38.4 t -139.88 24.41 2.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.406 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -87.23 97.36 10.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.344 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 333' ' ' ILE . . . . . 0.419 HD11 ' NE2' ' C' ' 268' ' ' HIS . 1.6 mt -38.71 -45.94 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.894 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -54.68 -58.84 5.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.425 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 335' ' ' LEU . . . . . 0.492 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 10.7 mt -56.43 -39.92 73.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.14 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 336' ' ' LEU . . . . . 0.43 HD22 HG23 ' D' ' 327' ' ' ILE . 96.8 mt -59.92 -42.62 94.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.472 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -68.99 -49.21 59.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.359 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.95 99.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.445 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 339' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 81.6 m -60.33 -53.7 54.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.089 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 12.3 mtp85 -55.12 -42.03 72.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.194 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -56.4 -56.9 15.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.832 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 342' ' ' GLU . . . . . 0.501 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.5 pt-20 -68.28 -38.52 81.79 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.678 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 343' ' ' PHE . . . . . 0.411 ' CD1' HD13 ' C' ' 273' ' ' LEU . 12.5 t80 -58.24 -33.21 69.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.542 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -85.99 -52.55 5.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.249 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -48.24 -34.0 9.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.155 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 70.8 mtt-85 -67.32 -31.48 71.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.616 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 12.7 mt -89.7 -44.4 10.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.619 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -65.81 -42.88 90.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.683 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 349' ' ' VAL . . . . . 0.519 ' O ' ' N ' ' D' ' 351' ' ' HIS . 2.6 t 41.75 -129.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.554 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 350' ' ' TYR . . . . . 0.432 ' H ' HG12 ' D' ' 349' ' ' VAL . 68.6 m-85 34.2 31.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.967 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 351' ' ' HIS . . . . . 0.519 ' N ' ' O ' ' D' ' 349' ' ' VAL . 55.2 t-80 . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.533 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 10' ' ' THR . . . . . . . . 0 CA--C 1.524 0.624 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.491 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.7 OUTLIER 34.75 55.25 0.71 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.205 0.526 . . . . 0.0 111.055 179.714 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.509 ' O ' ' CZ ' ' A' ' 13' ' ' TYR . 33.4 mttp -80.17 60.95 3.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.53 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.41 ' C ' ' CG ' ' A' ' 13' ' ' TYR . 1.5 mptp? -63.52 -173.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.459 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.509 ' CZ ' ' O ' ' A' ' 11' ' ' LYS . 20.5 m-85 -151.26 141.46 22.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 4.4 p-10 -83.63 92.78 7.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.53 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.408 HD13 ' OE1' ' A' ' 42' ' ' GLU . 12.1 mt -98.28 45.11 1.02 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.497 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 82.7 p -84.47 16.02 3.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.722 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.2 pttm -169.55 84.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.935 0.398 . . . . 0.0 110.654 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -134.8 170.78 15.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.264 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -115.87 163.95 15.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.644 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -64.24 -49.72 70.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.483 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.66 -36.68 81.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.609 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -64.99 -56.64 11.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.503 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.425 HD21 ' CD ' ' A' ' 42' ' ' GLU . 15.2 mt -55.87 -56.76 16.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.459 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -52.95 -40.71 63.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.44 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 29' ' ' THR . 14.3 m-20 -64.89 -48.37 74.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.389 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 30' ' ' SER . 7.8 m -54.08 -43.78 70.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.639 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.695 HD11 ' SG ' ' A' ' 39' ' ' CYS . 96.7 mt -76.05 -27.07 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.73 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.873 ' ND2' HH12 ' B' ' 142' ' ' ARG . 2.7 m-20 -90.66 -5.23 56.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.091 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 25' ' ' ASP . 75.2 p -129.66 -43.77 1.24 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.04 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.5 OUTLIER -78.69 149.21 32.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.957 0.408 . . . . 0.0 111.093 -179.483 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.542 ' SG ' ' CG ' ' B' ' 168' ' ' HIS . 21.5 t -122.72 30.32 6.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.255 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' ILE . 16.5 m-20 -93.47 93.52 8.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.445 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.68 ' HA ' HD12 ' A' ' 36' ' ' LEU . 2.2 mt -38.46 -41.04 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.953 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -57.48 -59.0 5.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.374 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.9 mt -58.43 -38.52 77.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.146 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.68 HD12 ' HA ' ' A' ' 33' ' ' ILE . 65.6 mt -58.91 -43.98 91.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.104 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.17 -48.65 77.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.189 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.416 ' O ' ' HG2' ' A' ' 41' ' ' GLU . . . -65.75 -41.2 92.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.251 179.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.695 ' SG ' HD11 ' A' ' 27' ' ' ILE . 46.5 t -64.02 -45.11 90.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.057 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.8 mtp85 -64.77 -42.72 94.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.244 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 42' ' ' GLU . 2.2 pt-20 -62.97 -45.1 94.04 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.918 -178.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 41' ' ' GLU . 2.8 pt-20 -67.63 -36.3 80.52 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.085 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -60.99 -44.99 96.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.285 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -66.38 -51.54 56.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.269 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -46.91 -55.4 8.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.243 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 mtp85 -46.12 -41.36 12.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.503 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.96 -36.14 69.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.459 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -71.8 -73.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.544 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.402 ' H ' HG22 ' A' ' 49' ' ' VAL . 18.8 m -96.09 176.43 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.511 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -85.32 32.16 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.568 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.529 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.517 ' N ' ' O ' ' B' ' 117' ' ' VAL . 27.7 ttp . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -68.97 130.42 42.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.553 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 5.0 pt -131.55 142.97 41.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.557 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -93.01 127.72 38.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.576 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 82.2 t -114.22 106.96 21.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.363 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -79.49 120.79 24.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.387 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' THR . . . . . 0.45 ' HB ' HD22 ' B' ' 108' ' ' LEU . 69.1 p -88.32 -162.33 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.606 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 1.074 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.0 OUTLIER -77.68 -59.48 2.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.178 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 50.8 p -57.7 -2.99 0.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.56 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 110' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' B' ' 108' ' ' LEU . . . 91.73 7.47 64.66 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -70.48 115.21 9.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 0.0 110.456 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.9 m -92.12 110.6 21.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.615 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.418 HG21 HD13 ' B' ' 113' ' ' ILE . 6.7 mt -96.83 148.74 5.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.635 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 17.4 m -107.59 98.31 7.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.471 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.594 HD22 ' N ' ' B' ' 115' ' ' LEU . 3.7 mm? -92.77 129.82 38.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.854 0.359 . . . . 0.0 110.777 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -90.21 116.72 28.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.893 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 117' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' B' ' 101' ' ' MET . 12.6 m -146.81 -161.68 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.053 0.454 . . . . 0.0 111.113 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.529 ' N ' ' OD2' ' B' ' 121' ' ' ASP . 44.5 mt-10 -150.13 152.42 33.68 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.718 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.22 -43.51 20.98 Favored 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.721 2.281 . . . . 0.0 112.853 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.49 17.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.53 -179.073 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 121' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' B' ' 118' ' ' GLU . 5.1 m-20 -92.43 138.3 31.63 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.349 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 6.5 p -81.97 138.51 34.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.965 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 22.0 mm -47.86 -52.47 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.198 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -46.68 -42.9 17.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.263 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 125' ' ' ASN . . . . . 0.49 ' OD1' ' NZ ' ' B' ' 129' ' ' LYS . 37.1 t-20 -61.13 -39.84 91.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.06 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 21.7 t -62.6 -48.46 88.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.152 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -53.67 -38.24 63.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.287 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.96 -40.15 94.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.37 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.49 ' NZ ' ' OD1' ' B' ' 125' ' ' ASN . 60.7 mttp -61.39 -44.19 97.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.303 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 9.2 mt -62.54 -51.82 67.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.297 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 131' ' ' GLN . . . . . 0.584 ' NE2' ' O ' ' B' ' 131' ' ' GLN . 1.2 tm0? -51.19 -32.67 24.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.43 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -74.35 -26.51 60.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.424 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt -81.08 -63.95 1.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.415 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -85.57 -109.23 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.634 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -169.41 16.93 0.06 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 68.1 mt -83.86 114.72 55.83 Favored Pre-proline 0 CA--C 1.532 0.279 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -64.35 147.77 90.84 Favored 'Trans proline' 0 C--N 1.315 -1.193 0 C-N-CA 121.512 1.474 . . . . 0.0 111.525 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.488 ' O ' ' N ' ' B' ' 140' ' ' GLN . 2.6 Cg_endo -48.1 -62.59 0.41 Allowed 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 122.344 2.029 . . . . 0.0 111.85 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -39.98 -24.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.811 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' B' ' 138' ' ' PRO . 12.2 mm100 -105.83 43.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.551 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' B' ' 138' ' ' PRO . 42.8 mt-30 -134.34 155.14 50.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.618 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.873 HH12 ' ND2' ' A' ' 28' ' ' ASN . 11.4 ttm180 -170.39 102.06 0.27 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.058 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.3 mt -84.16 133.36 34.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.006 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 144' ' ' ILE . . . . . 0.506 HG22 ' SG ' ' A' ' 31' ' ' CYS . 1.7 mt -127.52 142.17 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.069 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 145' ' ' PHE . . . . . 0.431 ' O ' ' HB3' ' B' ' 146' ' ' ALA . 68.1 t80 -146.72 104.24 3.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.762 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 146' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' B' ' 145' ' ' PHE . . . 65.74 69.88 0.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.842 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 41.31 46.78 4.43 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -150.8 120.73 7.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.34 . . . . 0.0 110.568 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -83.33 126.45 32.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.327 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 12.9 mt -81.04 126.59 31.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.727 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -68.95 161.97 27.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.544 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.33 -33.3 23.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.971 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -89.98 41.87 2.97 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -139.64 176.35 8.8 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 43.8 p -116.72 163.66 15.8 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.723 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 156' ' ' LEU . . . . . 0.446 ' CD1' HG21 ' B' ' 117' ' ' VAL . 64.5 mt -60.6 -37.5 81.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.533 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 157' ' ' SER . . . . . 0.482 ' C ' ' H ' ' B' ' 159' ' ' TYR . 10.4 t -61.51 -32.4 72.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.736 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -71.71 14.95 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.715 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 159' ' ' TYR . . . . . 0.482 ' H ' ' C ' ' B' ' 157' ' ' SER . 55.5 m-85 -140.64 6.62 2.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.53 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 59.75 28.73 18.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.631 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 97.0 mt -80.95 98.95 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.473 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -79.77 -157.56 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.618 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 31.9 ptt-85 -83.87 158.29 21.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.704 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 56.65 31.92 20.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.767 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 46.9 m -84.91 136.49 33.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.66 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 10.6 m -90.93 103.41 16.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.498 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 10.2 mt -95.92 121.2 37.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.639 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 168' ' ' HIS . . . . . 0.619 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.2 OUTLIER -77.81 97.01 5.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.27 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 43.6 tp -81.35 132.66 35.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.734 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 170' ' ' VAL . . . . . 0.408 ' CG2' HD13 ' A' ' 36' ' ' LEU . 3.0 t -130.51 161.59 40.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.24 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.691 ' N ' HD12 ' B' ' 171' ' ' LEU . 6.9 mp -97.85 110.17 22.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.498 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -65.68 103.19 0.83 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.497 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 13.9 mt -77.66 167.78 21.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.622 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -80.31 162.73 24.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.473 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . -170.92 -163.17 24.51 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.985 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 201' ' ' MET . . . . . 0.525 ' N ' ' O ' ' C' ' 217' ' ' VAL . 31.4 ttp . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -89.01 110.72 21.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.779 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 18.7 pt -107.95 147.09 13.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.339 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -98.44 135.49 39.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.798 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 59.0 t -124.0 110.52 25.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.057 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 206' ' ' LYS . . . . . 0.511 ' NZ ' ' OG1' ' C' ' 212' ' ' THR . 39.3 mttm -95.55 137.2 34.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.971 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 69.6 p -89.71 -160.7 0.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.146 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 208' ' ' LEU . . . . . 0.884 HD12 ' N ' ' C' ' 208' ' ' LEU . 1.6 mp -100.98 23.2 11.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 110.571 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 2.2 p -136.57 0.22 2.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.41 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 92.51 29.57 10.85 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -103.2 110.77 22.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.807 0.337 . . . . 0.0 110.567 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 212' ' ' THR . . . . . 0.511 ' OG1' ' NZ ' ' C' ' 206' ' ' LYS . 10.2 m -93.79 146.98 23.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.627 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 2.6 mt -138.16 127.25 32.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.906 0.384 . . . . 0.0 110.663 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 8.6 m -92.35 115.7 28.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.309 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 17.3 mt -117.16 123.28 46.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.89 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -81.5 121.43 26.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.078 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 217' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' C' ' 201' ' ' MET . 29.2 m -149.0 -165.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.99 0.424 . . . . 0.0 111.008 -179.54 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 218' ' ' GLU . . . . . 0.549 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 2.8 mt-10 -142.39 148.52 47.75 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.751 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.92 -25.24 2.6 Favored 'Trans proline' 0 C--N 1.31 -1.499 0 C-N-CA 122.412 2.074 . . . . 0.0 112.364 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.9 p -80.49 -28.97 37.39 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.954 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 221' ' ' ASP . . . . . 0.549 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 0.9 OUTLIER -44.85 137.77 3.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.39 . . . . 0.0 110.664 -179.714 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 222' ' ' THR . . . . . 0.403 ' O ' ' N ' ' C' ' 225' ' ' ASN . 19.9 p -87.9 138.14 31.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.509 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 18.6 mm -42.15 -52.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.59 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -51.42 -36.25 42.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.568 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 225' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' C' ' 222' ' ' THR . 30.1 t-20 -65.3 -41.22 94.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.863 0.363 . . . . 0.0 110.067 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 41.3 t -62.87 -45.15 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.979 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -55.62 -41.99 74.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.016 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.93 91.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.236 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -55.95 -46.59 78.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.247 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 41.9 mt -59.59 -40.02 80.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.293 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -59.06 -35.1 72.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.157 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.55 -24.96 61.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.481 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 19.7 mmtm -82.09 -62.26 1.68 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.593 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -88.31 -106.3 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.565 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -173.03 11.78 0.04 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.831 -0.907 . . . . 0.0 110.831 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 236' ' ' ILE . . . . . 0.486 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 17.6 mt -84.39 115.63 61.3 Favored Pre-proline 0 C--N 1.329 -0.295 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.01 151.2 79.97 Favored 'Trans proline' 0 C--N 1.314 -1.243 0 C-N-CA 121.504 1.469 . . . . 0.0 111.679 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 238' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.8 Cg_endo -48.49 -62.33 0.45 Allowed 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.404 2.069 . . . . 0.0 111.919 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -43.51 -20.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.633 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 240' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' C' ' 238' ' ' PRO . 81.6 mt-30 -106.54 33.14 4.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.522 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 241' ' ' GLN . . . . . 0.508 ' N ' ' O ' ' C' ' 238' ' ' PRO . 70.6 mt-30 -134.36 145.29 48.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.675 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 242' ' ' ARG . . . . . 0.765 HH21 ' HE ' ' C' ' 272' ' ' ARG . 40.2 ttm-85 -155.81 117.63 4.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.131 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 12.5 mt -96.54 136.33 37.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.153 0.502 . . . . 0.0 111.275 -179.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 2.1 mt -129.84 120.86 50.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.898 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 245' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -106.85 75.25 1.04 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.886 0.374 . . . . 0.0 111.055 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 54.05 88.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 247' ' ' GLY . . . . . 0.702 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 56.33 40.97 86.65 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -150.32 91.8 1.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.773 0.32 . . . . 0.0 110.544 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 249' ' ' GLN . . . . . 0.471 ' CD ' ' NH1' ' C' ' 242' ' ' ARG . 8.2 tt0 -75.01 112.24 11.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.98 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 9.7 mt -73.32 130.36 40.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.93 0.395 . . . . 0.0 110.834 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -80.44 158.75 25.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.421 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.44 -0.96 43.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.872 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -123.04 36.71 3.0 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.61 -177.82 4.79 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 255' ' ' THR . . . . . 0.462 ' C ' ' H ' ' C' ' 257' ' ' SER . 33.4 p -122.06 158.83 28.36 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.886 0.374 . . . . 0.0 110.601 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 256' ' ' LEU . . . . . 0.412 ' CD1' HG21 ' C' ' 217' ' ' VAL . 95.1 mt -60.67 -1.09 0.34 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.644 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 257' ' ' SER . . . . . 0.482 ' C ' ' H ' ' C' ' 259' ' ' TYR . 93.8 p -96.47 -30.3 13.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.686 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.81 12.97 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.647 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 259' ' ' TYR . . . . . 0.482 ' H ' ' C ' ' C' ' 257' ' ' SER . 74.7 m-85 -140.82 -0.61 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.552 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 260' ' ' ASN . . . . . 0.578 ' O ' ' NE2' ' C' ' 262' ' ' GLN . 9.0 t-20 60.82 54.18 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.633 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 96.7 mt -98.22 105.34 17.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.417 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 262' ' ' GLN . . . . . 0.578 ' NE2' ' O ' ' C' ' 260' ' ' ASN . 24.9 mp0 -84.09 -168.04 1.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.818 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -73.29 160.28 32.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.794 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 51.7 31.7 8.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.76 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 38.2 m -86.0 131.75 34.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.583 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 12.2 m -85.33 129.36 34.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.55 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 10.4 mt -123.84 132.56 53.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.582 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 268' ' ' HIS . . . . . 0.666 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.1 OUTLIER -85.17 111.7 20.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.097 179.831 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 269' ' ' LEU . . . . . 0.595 ' O ' HD11 ' C' ' 208' ' ' LEU . 45.5 tp -88.33 133.64 34.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.63 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 270' ' ' VAL . . . . . 0.408 HG11 HG23 ' D' ' 327' ' ' ILE . 2.0 t -133.26 140.33 47.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.376 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 271' ' ' LEU . . . . . 0.741 ' N ' HD12 ' C' ' 271' ' ' LEU . 6.7 mp -82.64 100.57 10.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.522 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 272' ' ' ARG . . . . . 0.765 ' HE ' HH21 ' C' ' 242' ' ' ARG . 17.2 ttt-85 -55.56 110.16 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.6 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 273' ' ' LEU . . . . . . . . . . . . . 43.3 mt -74.06 94.08 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.576 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 274' ' ' ARG . . . . . 0.491 HH11 ' NH1' ' C' ' 272' ' ' ARG . 0.0 OUTLIER -87.47 110.05 20.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.383 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . -44.22 -55.56 5.75 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.628 179.934 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.658 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 9.0 m -77.49 64.22 2.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 110.575 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 311' ' ' LYS . . . . . . . . . . . . . 47.1 mttp 38.42 83.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.717 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 312' ' ' LYS . . . . . 0.525 ' O ' ' CD1' ' D' ' 313' ' ' TYR . 59.6 mmtt -69.59 -158.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.475 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 313' ' ' TYR . . . . . 0.525 ' CD1' ' O ' ' D' ' 312' ' ' LYS . 6.0 m-85 -150.55 122.33 8.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.6 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.92 92.95 5.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.493 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 315' ' ' LEU . . . . . 0.426 HD13 ' OE1' ' D' ' 342' ' ' GLU . 10.6 mt -91.45 43.29 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.492 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 72.3 m -83.61 18.45 1.9 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.769 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -172.68 83.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 110.69 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -132.82 170.98 14.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.309 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -119.64 166.19 13.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.724 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 320' ' ' TYR . . . . . 0.477 ' C ' ' CD1' ' D' ' 320' ' ' TYR . 10.5 t80 -60.5 -48.82 80.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.558 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -59.66 -48.7 80.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.798 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -55.19 -57.56 11.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.543 HD21 ' CD ' ' D' ' 342' ' ' GLU . 15.4 mt -56.81 -55.67 31.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.743 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 324' ' ' ARG . . . . . 0.594 ' NH2' ' NH2' ' C' ' 272' ' ' ARG . 7.4 tpt85 -52.99 -47.76 67.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.552 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 325' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' D' ' 329' ' ' THR . 1.0 OUTLIER -63.36 -47.42 82.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.327 179.902 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 326' ' ' THR . . . . . 0.507 ' O ' ' N ' ' D' ' 330' ' ' SER . 21.7 m -53.49 -45.3 69.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.596 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 327' ' ' ILE . . . . . 0.408 HG23 HG11 ' C' ' 270' ' ' VAL . 95.8 mt -75.65 -25.43 17.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.733 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 328' ' ' ASN . . . . . 0.634 HD22 ' NH2' ' C' ' 272' ' ' ARG . 2.5 m120 -95.16 -1.5 51.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.064 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.464 ' N ' ' O ' ' D' ' 325' ' ' ASP . 62.6 p -135.15 -43.05 0.72 Allowed 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 121.002 -0.279 . . . . 0.0 111.245 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 330' ' ' SER . . . . . 0.507 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.4 OUTLIER -75.4 163.44 27.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.017 0.437 . . . . 0.0 111.218 -179.289 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 331' ' ' CYS . . . . . 0.702 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 27.6 p -140.86 88.49 2.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.468 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -160.14 98.88 1.33 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.342 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 333' ' ' ILE . . . . . 0.412 HG21 HD13 ' D' ' 333' ' ' ILE . 2.1 mt -38.82 -43.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.884 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -54.79 -58.93 5.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.346 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 335' ' ' LEU . . . . . 0.492 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 7.3 mt -60.43 -51.09 70.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.115 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 45.1 mt -50.42 -45.79 55.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.52 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.37 -48.72 80.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.303 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 338' ' ' ALA . . . . . 0.419 ' O ' ' HG2' ' D' ' 341' ' ' GLU . . . -68.03 -32.36 72.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.475 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 339' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 76.7 m -65.31 -45.97 82.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.115 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 340' ' ' ARG . . . . . 0.426 ' HE ' ' HB2' ' C' ' 271' ' ' LEU . 14.3 mtp-105 -67.81 -43.03 80.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.222 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 341' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' D' ' 342' ' ' GLU . 4.8 pt-20 -60.68 -45.85 92.61 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.798 -179.081 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 342' ' ' GLU . . . . . 0.543 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.1 pt-20 -68.39 -39.05 81.84 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.232 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.82 -53.04 62.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.014 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 344' ' ' HIS . . . . . 0.516 ' O ' ' N ' ' D' ' 348' ' ' LYS . 76.2 m-70 -59.66 -52.34 65.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.343 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 345' ' ' ARG . . . . . 0.442 ' O ' HG22 ' D' ' 349' ' ' VAL . 0.0 OUTLIER -47.67 -40.77 20.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.164 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -66.43 -47.52 72.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.517 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 347' ' ' LEU . . . . . 0.424 HD22 ' N ' ' D' ' 347' ' ' LEU . 4.3 mm? -77.62 -12.23 59.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.339 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 348' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' D' ' 344' ' ' HIS . 81.2 tttt -84.32 -70.11 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.494 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 349' ' ' VAL . . . . . 0.497 ' O ' ' CD1' ' D' ' 350' ' ' TYR . 6.1 m -92.36 179.22 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.459 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 350' ' ' TYR . . . . . 0.517 ' O ' ' CG ' ' D' ' 351' ' ' HIS . 71.9 m-85 -152.68 31.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.509 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 351' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' D' ' 350' ' ' TYR . 18.0 p80 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.74 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.703 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.9 m -78.58 95.99 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 0.0 110.53 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -140.18 60.28 1.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.587 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.543 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 2.9 mptp? -90.14 177.53 6.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.464 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -106.93 117.52 34.28 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.525 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -81.05 92.97 6.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.599 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.1 mt -89.24 42.58 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.459 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.8 p -79.74 17.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -171.82 82.31 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.908 0.385 . . . . 0.0 110.707 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -131.81 167.15 20.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.295 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.53 166.91 12.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.684 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.507 ' OH ' ' N ' ' B' ' 176' ' ' GLY . 8.9 t80 -62.31 -48.06 81.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.561 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.74 -36.84 79.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.728 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -68.23 -54.54 16.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.802 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.573 HD21 ' CD ' ' A' ' 42' ' ' GLU . 15.5 mt -57.96 -57.61 12.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.606 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 tpt85 -53.15 -53.52 49.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.371 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' A' ' 29' ' ' THR . 6.1 t70 -53.16 -51.25 62.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.299 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.571 ' O ' ' N ' ' A' ' 30' ' ' SER . 24.3 m -51.27 -53.18 38.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.612 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 88.3 mt -66.19 -20.01 26.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.64 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.444 ' ND2' HH12 ' B' ' 142' ' ' ARG . 2.3 m-20 -103.59 -1.68 27.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.414 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.537 ' N ' ' O ' ' A' ' 25' ' ' ASP . 41.7 p -139.82 -1.16 1.64 Allowed 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.861 -0.335 . . . . 0.0 111.133 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 26' ' ' THR . 3.1 t -115.93 168.94 9.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.009 0.433 . . . . 0.0 110.901 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.7 p -147.68 85.81 1.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.44 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -160.34 104.71 1.46 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.69 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.723 ' H ' HD12 ' A' ' 33' ' ' ILE . 1.1 mp -41.22 -42.56 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.56 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -56.45 -56.68 18.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.297 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.491 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 11.5 mt -63.25 -50.15 71.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.173 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.8 mt -52.05 -45.46 64.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.447 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.24 -49.31 70.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.815 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.7 -44.04 97.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.614 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 80.4 m -58.18 -53.55 57.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.468 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.6 mtp-105 -57.07 -41.37 78.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.417 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -55.91 -59.68 4.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.573 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.8 pt-20 -63.08 -36.08 82.41 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.806 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.435 ' CD1' HD13 ' B' ' 173' ' ' LEU . 4.5 t80 -58.3 -41.18 83.88 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.38 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -72.44 -51.59 19.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.385 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -45.9 -48.83 16.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.335 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.419 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 72.3 mtt-85 -52.73 -33.73 49.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.406 179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.5 mt -81.45 -50.23 9.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.509 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 49' ' ' VAL . 69.8 tttt -53.7 -67.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.573 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.425 ' O ' ' O ' ' A' ' 48' ' ' LYS . 5.0 t 53.77 106.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.512 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.502 ' CD2' ' O ' ' A' ' 50' ' ' TYR . 11.6 p90 -78.43 90.5 4.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.516 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 16.3 p80 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.512 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.564 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 102' ' ' GLN . . . . . 0.423 ' CD ' ' CG2' ' B' ' 114' ' ' THR . 24.8 tt0 -95.93 140.67 30.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.121 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 3.8 pt -135.01 156.4 39.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.904 0.383 . . . . 0.0 110.812 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -111.11 127.32 55.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.395 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 86.9 t -113.59 110.44 32.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.397 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -95.56 133.74 39.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.768 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 21.7 p -92.59 -163.49 1.05 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.307 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.935 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.5 OUTLIER -84.25 -23.43 30.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.343 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 5.6 p -83.93 2.35 39.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.468 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.27 12.56 80.49 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -82.15 122.86 28.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.751 0.31 . . . . 0.0 110.543 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.5 m -99.75 134.48 42.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.626 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 4.2 mt -122.97 129.58 75.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 114' ' ' THR . . . . . 0.423 ' CG2' ' CD ' ' B' ' 102' ' ' GLN . 8.4 m -88.52 101.44 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.348 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.473 HD22 ' N ' ' B' ' 115' ' ' LEU . 4.2 mm? -98.97 125.41 44.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.987 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -87.91 117.89 27.07 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 117' ' ' VAL . . . . . 0.564 ' O ' ' N ' ' B' ' 101' ' ' MET . 6.0 m -141.96 -158.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.334 0.588 . . . . 0.0 111.563 -178.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.524 ' N ' ' OD2' ' B' ' 121' ' ' ASP . 5.6 mt-10 -146.99 170.43 7.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.394 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -75.24 -16.58 19.61 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 122.385 2.057 . . . . 0.0 112.354 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.2 p -100.86 6.89 43.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.748 0.309 . . . . 0.0 110.739 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 121' ' ' ASP . . . . . 0.524 ' OD2' ' N ' ' B' ' 118' ' ' GLU . 45.1 m-20 -78.53 141.78 37.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.427 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 82.3 p -85.66 143.36 28.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 25.2 mm -51.74 -46.38 38.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.204 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 124' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' B' ' 125' ' ' ASN . 11.0 pt-20 -53.68 -40.32 65.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.294 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 125' ' ' ASN . . . . . 0.499 ' OD1' ' NZ ' ' B' ' 129' ' ' LYS . 41.8 t-20 -63.17 -37.99 89.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.175 179.682 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 46.0 t -64.28 -49.91 78.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.158 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -53.04 -38.34 62.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.161 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.55 -41.32 96.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.371 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.499 ' NZ ' ' OD1' ' B' ' 125' ' ' ASN . 36.3 mttp -60.37 -43.35 96.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.346 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 9.6 mt -63.67 -42.87 97.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.285 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 131' ' ' GLN . . . . . 0.578 ' NE2' ' O ' ' B' ' 131' ' ' GLN . 1.0 OUTLIER -60.64 -24.91 65.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.425 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -84.95 -19.74 31.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.689 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -89.83 -56.75 3.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.826 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -90.48 -106.21 0.09 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.757 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -172.97 22.67 0.07 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.526 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 15.8 mt -95.53 111.14 54.43 Favored Pre-proline 0 C--N 1.329 -0.292 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -63.2 153.35 74.67 Favored 'Trans proline' 0 C--N 1.314 -1.239 0 C-N-CA 121.518 1.479 . . . . 0.0 111.651 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -46.9 -65.0 0.2 Allowed 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.502 2.134 . . . . 0.0 111.859 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.33 -19.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.666 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' B' ' 138' ' ' PRO . 32.0 mm-40 -112.22 36.15 3.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.523 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 51.9 mt-30 -134.43 160.55 37.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.551 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.444 HH12 ' ND2' ' A' ' 28' ' ' ASN . 23.4 ttm180 -170.21 139.72 1.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.042 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 31.3 mt -120.29 137.85 54.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.989 0.423 . . . . 0.0 110.998 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 144' ' ' ILE . . . . . 0.413 ' O ' ' CG ' ' B' ' 168' ' ' HIS . 1.7 mt -129.34 123.29 57.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.055 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -141.57 146.47 36.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.428 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 62.21 21.53 12.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.618 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 73.72 30.01 62.47 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 65.5 mttt -146.44 143.47 29.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.796 0.331 . . . . 0.0 110.636 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -78.05 134.23 37.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.382 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 12.8 mt -85.33 136.68 33.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.751 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -80.53 160.31 25.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.469 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.75 -29.1 36.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.839 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -92.86 40.26 2.86 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 33.2 mmt-85 -139.64 178.72 7.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.751 0.31 . . . . 0.0 110.44 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 76.5 p -119.73 179.03 4.36 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.583 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 92.0 mt -80.46 -13.22 59.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.773 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 4.2 p -87.89 -14.38 39.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.586 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.33 -9.64 58.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.663 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -118.84 16.0 13.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.598 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 4.4 m120 54.92 18.11 2.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.973 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 78.1 mt -65.76 91.38 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.287 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -74.38 -157.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.595 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 163' ' ' ARG . . . . . 0.401 ' HG2' ' H ' ' B' ' 163' ' ' ARG . 11.0 ptp180 -84.37 156.67 21.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.726 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 59.89 32.83 21.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.679 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 38.2 m -85.12 131.88 34.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.585 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 9.0 m -93.36 97.0 10.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.6 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 167' ' ' LEU . . . . . 0.428 ' H ' HD12 ' B' ' 167' ' ' LEU . 3.4 mp -88.6 154.75 20.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.621 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 168' ' ' HIS . . . . . 0.655 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -104.31 113.96 27.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.075 179.522 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 169' ' ' LEU . . . . . 0.413 HD12 ' O ' ' B' ' 142' ' ' ARG . 28.9 tp -90.85 124.2 34.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.565 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.0 t -127.24 138.4 54.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.165 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.624 ' N ' HD12 ' B' ' 171' ' ' LEU . 8.4 mp -77.9 103.04 7.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.702 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 172' ' ' ARG . . . . . 0.425 ' O ' ' OE1' ' B' ' 140' ' ' GLN . 57.7 ttt180 -60.65 94.44 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.528 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 173' ' ' LEU . . . . . 0.435 HD13 ' CD1' ' A' ' 43' ' ' PHE . 28.7 mt -61.91 130.38 45.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.649 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 71.2 mtt-85 -78.56 148.14 33.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.571 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 153.48 -151.95 23.64 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 176' ' ' GLY . . . . . 0.507 ' N ' ' OH ' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.525 0.696 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 201' ' ' MET . . . . . 0.531 ' N ' ' O ' ' C' ' 217' ' ' VAL . 32.2 ttp . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 202' ' ' GLN . . . . . 0.522 ' OE1' ' N ' ' C' ' 202' ' ' GLN . 4.4 mp0 -76.08 144.7 40.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.435 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 14.9 pt -147.68 141.68 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.344 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -93.56 140.31 29.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.839 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 19.6 t -128.73 110.69 21.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.084 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 206' ' ' LYS . . . . . 0.486 ' CB ' ' NZ ' ' C' ' 206' ' ' LYS . 8.0 mtmp? -92.94 130.73 38.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.657 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 58.0 p -89.29 -158.46 0.51 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.435 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 208' ' ' LEU . . . . . 0.922 HD22 ' H ' ' C' ' 208' ' ' LEU . 0.6 OUTLIER -82.28 -33.63 29.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.3 179.882 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 9.4 p -82.3 -2.85 54.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.589 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 91.02 19.84 41.45 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -79.89 116.81 20.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.329 . . . . 0.0 110.553 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 6.4 m -94.43 137.69 33.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.601 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -130.03 128.48 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.54 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 55.0 m -94.18 98.45 10.96 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.343 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 215' ' ' LEU . . . . . 0.465 ' N ' HD12 ' C' ' 215' ' ' LEU . 11.0 mp -100.08 136.39 40.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.906 0.384 . . . . 0.0 110.819 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 216' ' ' GLU . . . . . 0.451 ' CD ' HE22 ' C' ' 202' ' ' GLN . 38.0 tt0 -91.78 121.25 33.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.103 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 217' ' ' VAL . . . . . 0.531 ' O ' ' N ' ' C' ' 201' ' ' MET . 34.0 m -145.01 -162.82 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.926 0.393 . . . . 0.0 110.904 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 218' ' ' GLU . . . . . 0.521 ' N ' ' OD2' ' C' ' 221' ' ' ASP . 5.5 mt-10 -140.06 171.16 8.26 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.725 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -73.44 -32.27 8.15 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 122.303 2.002 . . . . 0.0 112.031 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.64 1.13 35.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.446 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 221' ' ' ASP . . . . . 0.521 ' OD2' ' N ' ' C' ' 218' ' ' GLU . 30.5 m-20 -74.57 138.8 43.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.56 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 11.9 p -87.02 139.7 30.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.838 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 24.8 mm -46.8 -37.92 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.296 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -58.49 -45.28 89.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.357 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 225' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -61.07 -38.84 87.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.073 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 39.7 t -62.28 -44.79 99.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.098 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -57.63 -38.94 75.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.224 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.37 99.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.208 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -60.42 -47.44 86.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.238 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 60.8 mt -61.73 -29.58 46.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.336 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -67.64 -39.3 84.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.058 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -69.49 -25.42 64.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.358 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm -81.68 -60.41 2.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.553 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -88.48 -103.04 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.6 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 178.03 13.63 0.02 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 236' ' ' ILE . . . . . 0.513 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 48.8 mt -83.23 123.2 77.44 Favored Pre-proline 0 C--N 1.33 -0.266 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -58.14 146.65 87.28 Favored 'Trans proline' 0 C--N 1.313 -1.294 0 C-N-CA 121.536 1.49 . . . . 0.0 111.632 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 238' ' ' PRO . . . . . 0.499 ' C ' ' H ' ' C' ' 240' ' ' GLN . 2.7 Cg_endo -51.83 -45.33 39.11 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.3 2.0 . . . . 0.0 111.962 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 239' ' ' ASP . . . . . 0.501 ' N ' ' OD1' ' C' ' 239' ' ' ASP . 0.7 OUTLIER -69.12 13.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.754 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 240' ' ' GLN . . . . . 0.499 ' H ' ' C ' ' C' ' 238' ' ' PRO . 62.2 mt-30 -141.34 33.08 1.69 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.629 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 241' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 65.0 mt-30 -134.6 89.94 2.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.868 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 242' ' ' ARG . . . . . 0.513 ' NH2' ' OE1' ' C' ' 249' ' ' GLN . 33.5 ttm-85 -90.13 129.97 36.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.133 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 10.9 mt -109.66 126.86 54.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.048 0.451 . . . . 0.0 110.985 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.5 mt -122.51 127.0 74.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.085 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 245' ' ' PHE . . . . . 0.528 ' CE1' ' OD2' ' A' ' 25' ' ' ASP . 51.9 t80 -116.15 75.21 0.94 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.902 0.382 . . . . 0.0 111.095 -179.559 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 54.25 88.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.06 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 247' ' ' GLY . . . . . . . . . . . . . . . 55.65 39.37 75.38 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -150.82 90.76 1.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.491 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 249' ' ' GLN . . . . . 0.513 ' OE1' ' NH2' ' C' ' 242' ' ' ARG . 0.9 OUTLIER -74.47 96.16 2.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.965 179.667 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 250' ' ' LEU . . . . . 0.413 ' O ' ' OE1' ' C' ' 249' ' ' GLN . 9.4 mt -56.78 135.47 55.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.777 -179.543 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -91.34 161.27 15.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.334 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -24.06 51.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.756 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -100.09 41.21 2.22 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -139.63 176.99 8.26 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 42.3 p -119.62 159.83 23.65 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.872 0.368 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.55 -25.16 65.95 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.694 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 257' ' ' SER . . . . . 0.493 ' C ' ' H ' ' C' ' 259' ' ' TYR . 82.0 p -74.49 -30.6 61.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.768 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -71.5 15.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.693 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 259' ' ' TYR . . . . . 0.493 ' H ' ' C ' ' C' ' 257' ' ' SER . 69.4 m-85 -140.63 6.36 2.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.549 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 1.9 m120 60.53 26.84 16.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.645 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 84.9 mt -78.31 100.23 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.516 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -83.08 -157.28 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.65 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -82.53 161.86 22.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.671 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 51.29 29.06 4.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.583 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 34.5 m -88.97 135.66 33.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.61 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 4.3 m -80.43 150.71 29.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.496 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 7.5 mt -140.94 122.97 15.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.531 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 268' ' ' HIS . . . . . 0.637 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -81.6 104.3 11.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.174 179.803 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 47.6 tp -87.66 133.63 33.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.959 0.409 . . . . 0.0 110.879 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 2.5 t -130.62 154.95 41.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.306 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 271' ' ' LEU . . . . . . . . . . . . . 6.2 mt -91.28 110.26 21.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.735 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -84.6 115.67 22.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.345 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 273' ' ' LEU . . . . . 0.751 HD11 ' NH1' ' D' ' 340' ' ' ARG . 0.3 OUTLIER -99.79 -175.76 3.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.45 -179.825 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 -153.14 114.26 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.453 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . -69.36 102.65 0.97 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 32.9 t . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.536 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 309' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' D' ' 310' ' ' THR . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 310' ' ' THR . . . . . 0.479 HG23 ' NZ ' ' D' ' 312' ' ' LYS . 11.4 m 48.36 99.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.827 0.346 . . . . 0.0 110.575 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 311' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -149.76 93.03 1.98 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.449 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 312' ' ' LYS . . . . . 0.533 ' CD ' ' N ' ' D' ' 312' ' ' LYS . 9.9 mptt -91.15 -177.51 4.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.421 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 313' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' D' ' 313' ' ' TYR . 16.9 m-85 -91.3 134.4 34.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.491 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -78.79 92.77 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.566 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 315' ' ' LEU . . . . . 0.439 HD13 ' OE1' ' D' ' 342' ' ' GLU . 13.5 mt -98.7 45.93 1.0 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.384 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 13.0 t -73.26 -20.54 60.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -156.55 101.74 2.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.84 0.352 . . . . 0.0 110.703 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -129.53 163.82 25.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.21 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -100.32 160.62 14.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.789 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 320' ' ' TYR . . . . . 0.473 ' C ' ' CD1' ' D' ' 320' ' ' TYR . 16.6 t80 -60.25 -50.03 75.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.588 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -63.62 -40.9 98.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -58.52 -50.75 72.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.67 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.55 HD21 ' CD ' ' D' ' 342' ' ' GLU . 14.7 mt -60.87 -55.63 30.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.39 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 324' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -57.14 -53.35 59.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.587 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 325' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' D' ' 329' ' ' THR . 28.7 t70 -52.51 -51.49 59.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.397 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 326' ' ' THR . . . . . 0.488 ' O ' ' N ' ' D' ' 330' ' ' SER . 56.5 m -54.06 -42.25 69.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.392 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 327' ' ' ILE . . . . . 0.571 ' CD1' ' NH2' ' D' ' 340' ' ' ARG . 86.4 mt -75.06 -23.06 17.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.502 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 328' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -100.34 0.49 40.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.665 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.485 ' N ' ' O ' ' D' ' 325' ' ' ASP . 73.2 p -132.76 -19.12 2.35 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.167 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 330' ' ' SER . . . . . 0.488 ' N ' ' O ' ' D' ' 326' ' ' THR . 1.5 t -106.04 172.79 6.61 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.124 0.488 . . . . 0.0 111.191 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 331' ' ' CYS . . . . . . . . . . . . . 4.9 m -144.7 28.84 1.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.518 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 332' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' D' ' 333' ' ' ILE . 11.7 m-20 -92.76 95.29 9.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.398 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 333' ' ' ILE . . . . . 0.469 ' CD1' ' NZ ' ' C' ' 206' ' ' LYS . 2.2 mt -38.52 -42.12 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.701 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -55.21 -57.11 13.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.122 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.19 -50.74 71.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.08 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 57.3 mt -50.51 -46.14 57.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.457 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -66.01 -49.45 67.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.439 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -58.53 -42.79 88.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.161 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 339' ' ' CYS . . . . . . . . . . . . . 90.9 m -61.1 -53.88 51.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.112 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 340' ' ' ARG . . . . . 0.751 ' NH1' HD11 ' C' ' 273' ' ' LEU . 0.0 OUTLIER -50.98 -41.39 59.43 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.402 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -59.65 -51.59 69.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.486 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 342' ' ' GLU . . . . . 0.55 ' CD ' HD21 ' D' ' 323' ' ' LEU . 2.8 pt-20 -71.38 -33.5 69.58 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.709 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 343' ' ' PHE . . . . . 0.538 ' CD1' HD12 ' C' ' 273' ' ' LEU . 1.6 t80 -67.2 -43.7 81.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.572 -179.673 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -69.63 -50.53 43.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.349 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 50.8 mtp85 -53.77 -51.3 63.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.411 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 71.1 mtt-85 -50.09 -37.96 36.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.593 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 13.5 mt -71.93 -62.88 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.37 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -50.78 -56.49 11.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.489 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 349' ' ' VAL . . . . . . . . . . . . . 90.8 t -89.8 123.08 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.473 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 350' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -73.21 80.04 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.466 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 351' ' ' HIS . . . . . . . . . . . . . 1.1 t60 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.612 179.965 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 10' ' ' THR . 7.2 t -173.02 126.08 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.608 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -93.08 -165.87 1.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -96.84 -165.62 1.29 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.522 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -131.17 127.98 39.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.56 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -77.52 93.04 4.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.54 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.7 mt -90.39 42.59 1.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.614 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.0 t -87.55 -27.83 22.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.593 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -96.93 29.09 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.72 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -105.66 169.52 8.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.564 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -118.05 168.69 10.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.672 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -60.79 -47.2 87.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.539 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.14 -48.93 79.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.816 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -55.47 -57.89 10.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.63 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.533 HD13 ' CD ' ' A' ' 42' ' ' GLU . 30.1 mt -52.49 -59.53 4.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.607 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.532 HH12 ' N ' ' B' ' 173' ' ' LEU . 15.3 tpt180 -53.04 -42.87 66.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.569 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 29' ' ' THR . 11.0 m-20 -62.62 -48.18 80.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.423 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.513 ' O ' ' N ' ' A' ' 30' ' ' SER . 87.2 m -54.08 -46.66 72.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.6 mt -71.46 -30.42 39.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.715 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.409 ' OD1' ' NH1' ' B' ' 142' ' ' ARG . 2.8 m-20 -83.5 -23.75 32.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.294 -179.402 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 25' ' ' ASP . 32.6 p -107.64 -43.6 4.46 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.76 0.314 . . . . 0.0 111.052 -179.641 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.8 OUTLIER -79.3 172.85 13.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.074 0.464 . . . . 0.0 111.166 -179.5 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.434 ' CB ' ' H ' ' B' ' 147' ' ' GLY . 8.2 p -144.35 13.94 1.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.074 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 33' ' ' ILE . 11.4 m-20 -74.08 95.01 2.48 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.536 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.708 ' HA ' HD12 ' A' ' 36' ' ' LEU . 2.4 mt -38.42 -41.44 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.78 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -56.42 -58.75 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.084 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.9 mt -59.04 -42.92 91.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.043 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 33' ' ' ILE . 91.0 mt -50.57 -44.1 56.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.95 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.7 -48.63 68.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.064 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.88 -47.06 83.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.274 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.484 ' O ' ' OE2' ' A' ' 42' ' ' GLU . 90.8 m -62.79 -44.18 96.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.143 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.745 HH12 HD12 ' B' ' 171' ' ' LEU . 0.7 OUTLIER -63.26 -28.18 69.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.396 179.711 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -73.58 -61.42 1.84 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.217 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.533 ' CD ' HD13 ' A' ' 23' ' ' LEU . 2.5 pp20? -51.97 -36.31 49.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.989 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.496 ' N ' ' CD ' ' A' ' 42' ' ' GLU . 0.9 OUTLIER -66.46 -52.86 41.82 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.238 179.645 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -60.35 -44.47 95.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.962 0.41 . . . . 0.0 110.153 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 86.8 mtt-85 -55.3 -56.43 20.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.281 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 71.8 mtt-85 -48.92 -39.0 24.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.563 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -79.86 -20.7 45.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.287 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -80.55 -32.24 36.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.49 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.3 p -103.69 144.43 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.494 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.521 ' CD2' ' O ' ' A' ' 50' ' ' TYR . 45.5 t80 59.78 30.08 19.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.512 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 18.0 t60 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.543 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.529 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -94.7 114.36 26.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.66 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 21.7 pt -102.26 152.24 5.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.622 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -104.38 128.77 52.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.651 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 99.3 t -116.1 114.41 46.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.358 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 106' ' ' LYS . . . . . 0.506 ' NZ ' HG21 ' B' ' 166' ' ' THR . 26.4 mttp -84.95 128.02 34.44 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.567 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 24.2 p -76.77 -175.42 3.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.541 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.662 HD12 ' NE ' ' A' ' 40' ' ' ARG . 3.0 mm? -74.3 -29.94 61.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.508 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 6.9 p -80.61 -42.61 21.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.485 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 139.57 6.7 1.12 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -80.47 119.08 22.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.777 0.322 . . . . 0.0 110.638 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 6.5 m -85.51 146.39 26.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.44 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 1.9 mt -132.35 125.47 53.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.592 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 9.8 m -89.76 112.74 24.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.192 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 15.6 mt -116.48 128.8 55.78 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.988 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -78.87 121.19 24.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.024 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 117' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' B' ' 101' ' ' MET . 12.1 m -146.74 -177.01 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.997 0.427 . . . . 0.0 110.875 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.608 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 75.1 mt-10 -142.86 151.21 55.88 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.915 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.1 -27.8 4.78 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.61 2.207 . . . . 0.0 112.478 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.4 p -88.27 12.22 14.52 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.195 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 121' ' ' ASP . . . . . 0.608 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 8.1 m-20 -86.72 134.32 33.6 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.407 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 122' ' ' THR . . . . . 0.402 ' O ' ' N ' ' B' ' 125' ' ' ASN . 13.1 p -83.9 135.0 34.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.957 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 27.0 mm -43.44 -49.03 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.259 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -51.35 -38.51 53.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.142 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 125' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' B' ' 122' ' ' THR . 10.2 t-20 -63.89 -38.4 90.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.015 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 16.2 t -64.94 -45.54 94.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.045 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -56.54 -36.53 69.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.21 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.35 -46.4 76.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.324 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -56.05 -49.87 72.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.456 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' B' ' 133' ' ' LYS . 55.3 mt -58.48 -53.54 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.349 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 131' ' ' GLN . . . . . 0.581 ' NE2' ' O ' ' B' ' 131' ' ' GLN . 1.8 tm0? -46.97 -31.54 3.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.266 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -75.8 -27.79 58.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.473 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 133' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' B' ' 130' ' ' ILE . 46.7 mmtt -80.57 -59.75 2.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.557 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -86.2 -99.72 0.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.525 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 135' ' ' GLY . . . . . 0.438 ' H ' ' H ' ' B' ' 136' ' ' ILE . . . 178.75 9.46 0.02 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.438 ' H ' ' H ' ' B' ' 135' ' ' GLY . 39.6 mt -79.89 118.82 74.35 Favored Pre-proline 0 CA--C 1.533 0.322 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.49 151.28 76.28 Favored 'Trans proline' 0 N--CA 1.489 1.26 0 C-N-CA 121.566 1.511 . . . . 0.0 111.694 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.525 ' C ' ' H ' ' B' ' 140' ' ' GLN . 2.6 Cg_endo -48.36 -47.24 20.62 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 C-N-CA 122.59 2.194 . . . . 0.0 112.02 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.7 14.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.973 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.525 ' H ' ' C ' ' B' ' 138' ' ' PRO . 31.8 mt-30 -141.41 28.69 1.82 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.578 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.467 ' OE1' ' CG2' ' B' ' 130' ' ' ILE . 48.4 mt-30 -134.43 85.78 2.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.728 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.409 ' NH1' ' OD1' ' A' ' 28' ' ' ASN . 2.8 ttm180 -89.99 115.57 27.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.087 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 15.2 mt -92.03 130.14 37.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.613 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.5 mt -129.07 143.17 42.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.429 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 145' ' ' PHE . . . . . 0.446 ' O ' ' HB3' ' B' ' 146' ' ' ALA . 85.2 t80 -141.12 92.19 2.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.697 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 146' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' B' ' 145' ' ' PHE . . . 66.8 79.83 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 147' ' ' GLY . . . . . 0.434 ' H ' ' CB ' ' A' ' 31' ' ' CYS . . . 39.13 44.2 2.03 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -149.75 112.26 4.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.367 . . . . 0.0 110.617 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -79.44 128.06 32.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.264 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 11.8 mt -81.5 115.48 20.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.694 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -55.88 158.64 3.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.566 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.43 -17.69 33.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.747 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -107.17 38.81 3.14 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 24.3 mmt-85 -139.56 172.39 12.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.642 0.258 . . . . 0.0 110.335 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 14.9 p -110.58 163.58 13.58 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 76.1 mt -59.55 -41.0 89.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.566 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 157' ' ' SER . . . . . 0.497 ' C ' ' H ' ' B' ' 159' ' ' TYR . 31.4 p -53.57 -32.83 52.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.834 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -71.79 16.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.704 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 159' ' ' TYR . . . . . 0.497 ' H ' ' C ' ' B' ' 157' ' ' SER . 72.4 m-85 -140.66 3.9 1.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.604 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 160' ' ' ASN . . . . . 0.528 ' O ' ' NE2' ' B' ' 162' ' ' GLN . 11.4 m-20 60.68 27.5 17.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.714 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 86.6 mt -79.4 104.93 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.495 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 162' ' ' GLN . . . . . 0.566 ' H ' ' CD ' ' B' ' 162' ' ' GLN . 9.1 mp0 -82.45 -161.08 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.723 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 11.4 ptt-85 -82.72 161.71 22.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.746 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 52.76 21.41 1.91 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.54 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 37.3 m -80.12 139.24 36.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.659 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 166' ' ' THR . . . . . 0.506 HG21 ' NZ ' ' B' ' 106' ' ' LYS . 8.5 m -85.7 146.67 26.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.421 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.1 mt -135.37 146.4 48.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 168' ' ' HIS . . . . . 0.619 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.2 OUTLIER -100.52 107.46 19.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.396 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 37.0 tp -84.67 144.07 28.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.427 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 170' ' ' VAL . . . . . 0.511 HG22 HD13 ' A' ' 36' ' ' LEU . 2.4 t -143.81 167.05 13.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.592 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.745 HD12 HH12 ' A' ' 40' ' ' ARG . 15.9 mt -103.82 101.23 11.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.244 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -60.65 106.99 0.62 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.488 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 173' ' ' LEU . . . . . 0.532 ' N ' HH12 ' A' ' 24' ' ' ARG . 13.2 mt -82.38 159.1 23.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.553 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -60.42 130.7 47.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.535 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . -177.11 36.11 0.09 OUTLIER Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.646 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 201' ' ' MET . . . . . 0.441 ' SD ' ' C ' ' C' ' 218' ' ' GLU . 1.6 ptm . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -72.36 107.24 4.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.609 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 27.3 pt -104.27 144.33 14.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.421 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -97.99 129.96 44.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.549 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 92.8 t -113.89 110.51 32.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.233 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -82.58 149.23 27.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.729 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 207' ' ' THR . . . . . 0.401 ' O ' ' N ' ' C' ' 210' ' ' GLY . 42.0 p -127.17 163.96 22.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.357 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 208' ' ' LEU . . . . . 1.011 HD22 ' H ' ' C' ' 208' ' ' LEU . 0.4 OUTLIER -46.08 -57.81 4.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.503 -179.867 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 209' ' ' THR . . . . . 0.419 HG23 ' H ' ' C' ' 209' ' ' THR . 7.6 p -56.37 -4.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 210' ' ' GLY . . . . . 0.5 ' H ' ' C ' ' C' ' 208' ' ' LEU . . . 86.81 -4.42 86.3 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 211' ' ' LYS . . . . . 0.505 ' NZ ' ' OE2' ' C' ' 234' ' ' GLU . 76.8 tttt -63.63 128.42 35.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 110.491 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 32.0 m -105.42 140.93 37.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.502 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 213' ' ' ILE . . . . . 0.41 HD13 HG21 ' C' ' 213' ' ' ILE . 4.7 mt -125.06 130.65 73.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.493 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 214' ' ' THR . . . . . 0.49 ' C ' HD22 ' C' ' 215' ' ' LEU . 4.9 m -98.48 105.88 18.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.545 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 215' ' ' LEU . . . . . 0.817 HD22 ' N ' ' C' ' 215' ' ' LEU . 2.3 mm? -99.27 131.53 45.23 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.665 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -88.49 76.0 8.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.067 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 217' ' ' VAL . . . . . 0.444 HG21 ' CD1' ' C' ' 256' ' ' LEU . 9.0 m -100.35 -160.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.11 0.481 . . . . 0.0 111.102 -179.431 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 218' ' ' GLU . . . . . 0.518 ' N ' ' OD2' ' C' ' 221' ' ' ASP . 2.4 mt-10 -148.16 170.27 7.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.613 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 219' ' ' PRO . . . . . 0.416 ' N ' ' SD ' ' C' ' 201' ' ' MET . 3.4 Cg_exo -72.73 -13.01 26.94 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 C-N-CA 122.31 2.006 . . . . 0.0 112.375 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.1 p -103.17 7.62 38.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.328 . . . . 0.0 110.583 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 221' ' ' ASP . . . . . 0.518 ' OD2' ' N ' ' C' ' 218' ' ' GLU . 6.4 m-20 -83.18 139.12 33.34 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.527 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 222' ' ' THR . . . . . 0.426 ' OG1' ' OD1' ' C' ' 225' ' ' ASN . 12.8 p -85.15 139.31 31.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.882 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 37.1 mm -46.2 -39.92 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.474 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -57.36 -45.22 84.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.429 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 225' ' ' ASN . . . . . 0.426 ' OD1' ' OG1' ' C' ' 222' ' ' THR . 2.8 m120 -60.61 -40.03 90.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.098 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 22.9 t -61.65 -43.75 97.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.026 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 227' ' ' LYS . . . . . 0.578 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 18.2 mttp -57.02 -40.87 77.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.072 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.52 97.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.305 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -61.17 -51.09 70.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.46 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 57.9 mt -57.54 -45.89 86.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.41 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 231' ' ' GLN . . . . . 0.432 ' O ' ' OE1' ' C' ' 231' ' ' GLN . 1.0 OUTLIER -56.75 -29.55 62.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.414 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -72.57 -39.99 66.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.337 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -70.65 -62.02 1.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.266 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 234' ' ' GLU . . . . . 0.505 ' OE2' ' NZ ' ' C' ' 211' ' ' LYS . 28.8 mm-40 -80.1 -103.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.51 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 235' ' ' GLY . . . . . 0.423 ' H ' ' H ' ' C' ' 236' ' ' ILE . . . 178.73 3.08 0.02 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 236' ' ' ILE . . . . . 0.423 ' H ' ' H ' ' C' ' 235' ' ' GLY . 52.8 mt -74.27 123.6 89.3 Favored Pre-proline 0 C--N 1.329 -0.292 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -58.5 152.56 54.09 Favored 'Trans proline' 0 C--N 1.314 -1.26 0 C-N-CA 121.594 1.529 . . . . 0.0 111.522 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 238' ' ' PRO . . . . . 0.497 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.6 Cg_endo -48.57 -68.07 0.1 OUTLIER 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 122.458 2.105 . . . . 0.0 111.968 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 239' ' ' ASP . . . . . 0.449 ' N ' ' OD1' ' C' ' 239' ' ' ASP . 3.4 m-20 -42.5 -23.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 240' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' C' ' 238' ' ' PRO . 76.4 mt-30 -101.52 32.49 3.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.852 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 241' ' ' GLN . . . . . 0.578 ' NE2' ' O ' ' C' ' 227' ' ' LYS . 19.5 mt-30 -134.6 82.99 2.0 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.778 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 242' ' ' ARG . . . . . 0.686 ' HE ' ' NE2' ' C' ' 249' ' ' GLN . 27.5 ttt85 -89.92 120.17 30.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.23 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 16.0 mt -97.46 129.18 44.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.089 0.471 . . . . 0.0 111.063 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.5 mt -127.38 119.82 53.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.19 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 245' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -100.75 78.48 1.97 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.886 0.374 . . . . 0.0 110.966 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 54.23 79.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 247' ' ' GLY . . . . . 0.662 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 59.99 42.08 98.19 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -150.86 92.2 1.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.786 0.327 . . . . 0.0 110.641 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 249' ' ' GLN . . . . . 0.686 ' NE2' ' HE ' ' C' ' 242' ' ' ARG . 13.8 tt0 -68.97 118.26 11.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.107 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 12.2 mt -79.59 138.32 37.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.913 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -81.87 158.98 23.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.391 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.05 -4.92 59.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.726 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -117.67 35.49 4.07 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 254' ' ' ARG . . . . . 0.425 ' HE ' ' HB3' ' C' ' 258' ' ' ASP . 17.7 mmm-85 -139.35 171.12 14.74 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 16.2 p -108.84 163.7 13.04 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.699 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 256' ' ' LEU . . . . . 0.444 ' CD1' HG21 ' C' ' 217' ' ' VAL . 83.1 mt -62.24 -33.43 74.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.806 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 257' ' ' SER . . . . . . . . . . . . . 5.4 p -61.59 -42.66 99.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.766 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 258' ' ' ASP . . . . . 0.425 ' HB3' ' HE ' ' C' ' 254' ' ' ARG . 1.2 m-20 -49.92 -41.28 45.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.625 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -85.12 1.12 49.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.72 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 260' ' ' ASN . . . . . 0.468 ' O ' ' ND2' ' C' ' 260' ' ' ASN . 4.8 t30 61.27 26.39 16.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 77.9 mt -69.69 109.3 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.292 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -79.24 -170.67 2.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -81.06 161.15 24.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.716 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 56.42 27.94 12.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.742 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 36.8 m -83.75 132.69 34.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.466 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 10.1 m -90.63 100.37 13.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.553 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 5.1 mt -85.88 164.96 17.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.462 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 268' ' ' HIS . . . . . 0.646 ' N ' ' ND1' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -114.85 101.1 8.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.042 179.74 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 42.2 tp -81.15 143.17 32.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.723 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 270' ' ' VAL . . . . . 0.47 HG22 HD13 ' D' ' 336' ' ' LEU . 1.9 t -143.09 156.82 17.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.312 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 271' ' ' LEU . . . . . 0.66 ' N ' HD12 ' C' ' 271' ' ' LEU . 7.3 mp -98.62 98.74 9.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.372 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -52.24 101.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.507 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 273' ' ' LEU . . . . . 0.501 HD13 ' CG ' ' D' ' 343' ' ' PHE . 21.7 mt -75.38 143.76 42.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.527 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -175.98 174.11 2.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.553 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . 168.88 -24.61 0.11 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 21.0 t . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.56 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.562 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.22 99.08 2.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.819 0.343 . . . . 0.0 110.539 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 311' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -143.21 123.36 13.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.474 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 312' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -77.45 171.11 15.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.595 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 313' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' D' ' 313' ' ' TYR . 10.6 m-85 -91.52 124.43 35.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.522 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 314' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' D' ' 314' ' ' ASP . 1.8 m-20 -79.35 92.74 5.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.561 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 315' ' ' LEU . . . . . 0.548 HD13 ' OE1' ' D' ' 342' ' ' GLU . 13.6 mt -107.55 46.19 0.96 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.282 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 7.4 t -64.83 -29.95 70.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.815 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 25.4 pttt -158.89 106.24 1.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.758 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -121.94 -175.07 3.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.064 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -123.07 163.5 20.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.654 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 320' ' ' TYR . . . . . 0.454 ' C ' ' CD1' ' D' ' 320' ' ' TYR . 10.8 t80 -63.3 -49.77 72.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.547 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -62.06 -35.93 80.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.697 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -67.85 -55.21 13.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.675 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.625 HD21 ' CD ' ' D' ' 342' ' ' GLU . 15.2 mt -58.27 -57.41 13.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.594 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 324' ' ' ARG . . . . . 0.5 ' O ' ' ND2' ' D' ' 328' ' ' ASN . 7.9 tpt180 -53.11 -47.96 68.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.614 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 325' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' D' ' 329' ' ' THR . 5.3 t70 -60.1 -48.46 81.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.67 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 326' ' ' THR . . . . . 0.557 ' O ' ' N ' ' D' ' 330' ' ' SER . 12.2 m -52.56 -48.5 66.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.7 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 327' ' ' ILE . . . . . 0.437 HG23 HD22 ' D' ' 336' ' ' LEU . 90.6 mt -68.05 -31.86 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.677 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 328' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' D' ' 324' ' ' ARG . 1.5 m-80 -88.38 -12.65 42.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.161 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.538 ' N ' ' O ' ' D' ' 325' ' ' ASP . 59.1 p -115.96 -16.07 11.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.862 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 330' ' ' SER . . . . . 0.557 ' N ' ' O ' ' D' ' 326' ' ' THR . 3.3 t -111.04 -179.26 3.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.008 0.432 . . . . 0.0 110.889 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 331' ' ' CYS . . . . . 0.662 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 10.0 p -149.15 8.55 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.101 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 332' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' D' ' 333' ' ' ILE . 6.8 m-20 -70.06 93.84 0.83 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.426 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 333' ' ' ILE . . . . . 0.675 ' HA ' HD12 ' D' ' 336' ' ' LEU . 2.3 mt -38.71 -41.38 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.686 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -55.71 -54.5 43.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.169 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 335' ' ' LEU . . . . . 0.446 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 9.2 mt -62.33 -38.31 88.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.135 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 336' ' ' LEU . . . . . 0.675 HD12 ' HA ' ' D' ' 333' ' ' ILE . 90.1 mt -56.5 -44.05 80.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.199 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -68.45 -49.23 61.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.494 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.31 95.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.393 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 339' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 76.5 m -61.97 -53.4 56.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.254 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 340' ' ' ARG . . . . . 0.564 HH21 HD22 ' C' ' 271' ' ' LEU . 16.4 mtp-105 -52.94 -39.07 62.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.24 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -62.2 -62.74 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.604 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 342' ' ' GLU . . . . . 0.625 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.9 pt-20 -59.05 -34.65 72.17 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.545 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 343' ' ' PHE . . . . . 0.501 ' CG ' HD13 ' C' ' 273' ' ' LEU . 14.9 t80 -59.64 -49.04 79.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.644 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 344' ' ' HIS . . . . . 0.419 ' O ' ' N ' ' D' ' 347' ' ' LEU . 71.1 m-70 -73.18 -53.53 10.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.532 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -45.88 -44.02 14.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.473 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -58.2 -27.95 64.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.451 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 347' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' D' ' 344' ' ' HIS . 12.6 mt -91.55 -47.39 7.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.509 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -63.06 -58.33 7.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.535 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 349' ' ' VAL . . . . . 0.496 ' C ' ' H ' ' D' ' 351' ' ' HIS . 63.9 t -67.46 122.65 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.581 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 350' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -72.22 37.61 0.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.561 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 351' ' ' HIS . . . . . 0.496 ' H ' ' C ' ' D' ' 349' ' ' VAL . 84.8 t60 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.558 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.722 0.296 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -78.82 92.92 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.545 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 mt -91.2 37.76 0.95 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.569 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.7 t -79.72 -32.59 41.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.601 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 pttm -81.37 1.16 34.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.63 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -81.96 176.62 9.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.536 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -122.77 168.01 12.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.441 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.409 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 32.4 t80 -62.34 -46.95 86.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.759 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.81 -46.71 89.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.758 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -57.66 -57.17 13.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.662 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.574 HD13 ' OE1' ' A' ' 42' ' ' GLU . 23.3 mt -52.15 -60.71 2.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.499 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.697 ' NH1' HD21 ' A' ' 28' ' ' ASN . 14.8 tpt85 -52.8 -53.35 49.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.065 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' A' ' 29' ' ' THR . 5.6 t70 -51.05 -51.93 48.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.976 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.554 ' O ' ' N ' ' A' ' 30' ' ' SER . 29.7 m -48.33 -50.49 30.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.49 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 84.7 mt -69.02 -21.1 25.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.628 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.697 HD21 ' NH1' ' A' ' 24' ' ' ARG . 1.1 m-80 -104.79 3.49 31.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.433 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.541 ' N ' ' O ' ' A' ' 25' ' ' ASP . 36.8 p -145.49 -2.58 0.76 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.362 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.554 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.2 t -118.26 163.62 16.4 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.07 0.462 . . . . 0.0 111.042 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.408 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 19.9 p -139.06 88.47 2.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.29 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -159.71 97.98 1.34 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.497 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.2 mt -39.56 -38.57 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.761 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -60.62 -59.05 6.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.352 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.7 mt -59.87 -47.19 86.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.14 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.9 mt -50.55 -43.4 56.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.424 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.45 -49.16 67.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.279 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.35 -44.9 92.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.381 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.495 ' O ' ' OE2' ' A' ' 42' ' ' GLU . 97.8 m -63.02 -44.57 95.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.23 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -65.85 -27.08 67.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.43 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -70.99 -61.4 1.77 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.574 ' OE1' HD13 ' A' ' 23' ' ' LEU . 3.0 pp20? -55.27 -34.53 64.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.95 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.476 ' N ' ' CD ' ' A' ' 42' ' ' GLU . 5.8 t80 -63.83 -49.01 74.49 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.183 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 42.7 m170 -64.34 -41.73 96.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.314 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.522 ' O ' ' N ' ' A' ' 49' ' ' VAL . 97.7 mtt180 -55.3 -54.08 48.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.353 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 -45.94 -34.37 3.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.59 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.0 mt -80.22 -35.35 36.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.493 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.3 mttm -86.58 -9.58 55.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.688 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.542 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 73.2 t -98.49 124.62 51.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.703 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.542 ' CD2' ' O ' ' A' ' 49' ' ' VAL . 19.6 m-85 -162.73 99.22 1.0 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.322 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.463 ' ND1' ' OXT' ' A' ' 51' ' ' HIS . 48.5 t-80 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.556 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.538 ' N ' ' O ' ' B' ' 117' ' ' VAL . 34.8 ttp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -85.32 133.49 34.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.546 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 19.3 pt -133.53 148.55 30.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.611 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -101.87 144.56 30.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.745 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 39.8 t -127.67 107.53 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.248 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -80.77 132.68 35.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.7 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . 0.445 HG23 ' O ' ' B' ' 111' ' ' LYS . 40.9 p -89.41 -170.02 2.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.209 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.656 HD22 ' N ' ' B' ' 108' ' ' LEU . 2.9 mm? -75.91 -55.31 5.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.528 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . 0.472 ' H ' HG23 ' B' ' 109' ' ' THR . 7.1 p -56.38 -47.71 78.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.566 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 146.86 -1.85 0.83 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.445 ' O ' HG23 ' B' ' 107' ' ' THR . 50.9 tttp -74.85 124.97 27.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.84 0.353 . . . . 0.0 110.578 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 6.8 m -97.57 155.38 16.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.555 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 4.0 mt -134.2 129.37 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.593 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 14.0 m -92.87 117.34 29.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.406 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 24.9 mt -119.67 130.87 55.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.774 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -88.35 123.07 32.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.137 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' B' ' 101' ' ' MET . 15.5 m -147.81 -168.05 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.861 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.421 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 10.4 mm-40 -141.16 149.52 55.63 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.944 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.82 -20.45 1.1 Allowed 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.584 2.189 . . . . 0.0 112.631 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.3 p -94.93 11.92 30.12 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.228 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . 0.421 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 1.9 m-20 -84.12 135.78 34.26 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.347 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . 0.499 ' O ' ' N ' ' B' ' 125' ' ' ASN . 6.9 p -84.74 132.64 34.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.782 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 28.0 mm -42.43 -31.58 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.057 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -66.85 -39.95 87.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.166 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' B' ' 122' ' ' THR . 16.9 m120 -64.74 -38.95 92.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.941 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 14.1 t -65.19 -51.92 59.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.959 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . 0.403 ' HZ2' ' HB3' ' B' ' 141' ' ' GLN . 54.2 mttm -49.91 -39.26 39.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.037 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.0 -45.75 87.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.254 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -55.7 -39.1 70.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.305 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 8.9 mt -68.8 -39.42 80.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.259 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -58.34 -31.55 67.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.252 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -77.48 -42.24 36.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.636 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -64.55 -63.2 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.594 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -86.11 -108.11 0.05 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.629 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -172.98 11.57 0.04 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.789 -0.925 . . . . 0.0 110.789 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.555 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 45.2 mt -86.06 115.78 63.22 Favored Pre-proline 0 C--N 1.329 -0.307 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -64.24 153.38 76.86 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 121.534 1.489 . . . . 0.0 111.621 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.526 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.6 Cg_endo -48.11 -67.77 0.1 Allowed 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.503 2.135 . . . . 0.0 111.942 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -40.31 -23.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.991 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' B' ' 138' ' ' PRO . 27.3 mt-30 -101.48 33.67 2.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.7 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . 0.555 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 81.4 mt-30 -134.61 164.44 27.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . 0.685 ' HE ' ' NE2' ' B' ' 149' ' ' GLN . 16.7 ttt85 -170.42 105.96 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.859 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 11.3 mt -89.37 141.9 28.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.7 mt -127.97 133.21 67.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.985 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . 0.498 ' O ' ' N ' ' B' ' 148' ' ' LYS . 45.8 t80 -140.84 156.62 46.09 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.581 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 40.78 27.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.646 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' B' ' 145' ' ' PHE . . . 70.53 38.23 68.8 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' B' ' 145' ' ' PHE . 76.4 mttt -147.21 133.69 19.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.755 0.312 . . . . 0.0 110.617 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . 0.685 ' NE2' ' HE ' ' B' ' 142' ' ' ARG . 8.5 tt0 -68.99 138.13 54.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.384 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 16.7 mt -95.24 137.13 34.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.893 0.377 . . . . 0.0 110.662 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -84.19 163.02 19.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.636 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.7 -35.88 33.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.835 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -88.68 40.35 3.08 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.384 -0.687 . . . . 0.0 111.384 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -139.65 170.53 15.73 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 29.4 p -113.67 167.91 10.22 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.897 0.379 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . 0.432 ' CD1' HG21 ' B' ' 117' ' ' VAL . 84.5 mt -62.54 -39.53 93.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.68 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . 0.459 ' C ' ' H ' ' B' ' 159' ' ' TYR . 10.4 t -63.75 -30.46 71.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -69.41 10.68 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.783 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . 0.459 ' H ' ' C ' ' B' ' 157' ' ' SER . 48.2 m-85 -140.72 13.05 2.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.508 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' B' ' 160' ' ' ASN . 53.4 t-20 59.2 23.44 11.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.648 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 93.0 mt -76.12 94.86 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.445 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -80.02 -156.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.688 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -80.96 159.79 24.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.741 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 54.88 36.08 25.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.701 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 26.4 m -88.24 137.67 32.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.532 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 4.9 m -92.89 107.7 19.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.581 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 11.2 mt -99.74 123.73 44.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.662 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 168' ' ' HIS . . . . . 0.691 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -81.49 111.32 17.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.035 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 27.5 tp -89.83 122.7 33.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.705 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.1 t -122.78 139.03 50.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.264 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.652 HD12 ' N ' ' B' ' 171' ' ' LEU . 8.0 mp -81.03 101.94 9.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.555 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -57.73 103.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.484 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 173' ' ' LEU . . . . . 0.459 HD13 ' CG ' ' A' ' 43' ' ' PHE . 21.6 mt -70.12 113.92 7.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.579 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -85.17 131.44 34.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.487 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 179.7 -79.82 0.06 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.692 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 201' ' ' MET . . . . . 0.541 ' N ' ' O ' ' C' ' 217' ' ' VAL . 31.5 ttp . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 202' ' ' GLN . . . . . 0.412 ' N ' ' CG ' ' C' ' 201' ' ' MET . 61.7 mt-30 -126.77 113.1 16.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.265 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 25.9 pt -110.46 148.89 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.969 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 204' ' ' PHE . . . . . 0.447 ' HD1' ' HG1' ' C' ' 214' ' ' THR . 57.5 m-85 -103.25 157.1 17.24 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.388 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 23.2 t -136.5 105.1 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.228 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -81.35 129.78 34.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.639 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 207' ' ' THR . . . . . 0.434 HG23 ' O ' ' C' ' 211' ' ' LYS . 36.8 p -87.79 -171.6 3.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.381 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 208' ' ' LEU . . . . . 0.628 HD22 ' N ' ' C' ' 208' ' ' LEU . 3.2 mm? -71.03 -59.35 2.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.544 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 17.3 p -56.39 -46.49 80.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.542 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 149.95 -13.07 0.98 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 211' ' ' LYS . . . . . 0.434 ' O ' HG23 ' C' ' 207' ' ' THR . 82.7 tttt -57.58 118.31 5.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.81 0.338 . . . . 0.0 110.595 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 18.1 m -97.63 154.39 17.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.504 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 1.5 mt -135.7 126.57 43.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.617 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 214' ' ' THR . . . . . 0.447 ' HG1' ' HD1' ' C' ' 204' ' ' PHE . 17.9 m -98.51 128.31 44.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.439 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 36.4 mt -131.42 136.44 48.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.874 0.369 . . . . 0.0 110.781 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -86.3 123.9 32.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.184 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 217' ' ' VAL . . . . . 0.541 ' O ' ' N ' ' C' ' 201' ' ' MET . 16.1 m -147.74 -174.55 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.928 0.394 . . . . 0.0 110.968 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 218' ' ' GLU . . . . . 0.464 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 48.1 mt-10 -133.6 151.87 77.99 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.9 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.37 -26.68 4.21 Favored 'Trans proline' 0 C--N 1.31 -1.492 0 C-N-CA 122.608 2.205 . . . . 0.0 112.577 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 2.8 p -79.91 -28.81 39.76 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.139 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 221' ' ' ASP . . . . . 0.464 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 1.2 m-20 -42.69 135.61 2.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.915 0.388 . . . . 0.0 110.65 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 222' ' ' THR . . . . . 0.438 ' O ' ' N ' ' C' ' 225' ' ' ASN . 19.3 p -89.51 139.17 30.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.538 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 19.4 mm -43.77 -47.32 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.524 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -55.68 -33.49 64.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.402 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 225' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' C' ' 222' ' ' THR . 11.6 t30 -67.87 -42.08 81.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.218 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 22.0 t -63.85 -47.31 91.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.24 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -55.75 -38.73 70.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.111 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.39 98.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.184 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -60.18 -46.62 89.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.339 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 61.2 mt -59.96 -40.14 82.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.27 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 231' ' ' GLN . . . . . 0.574 HE22 ' C ' ' C' ' 235' ' ' GLY . 2.0 tp-100 -61.35 -30.91 70.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.219 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -78.36 -17.63 56.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.48 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -89.94 -61.8 1.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.594 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -85.38 -107.0 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.576 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 235' ' ' GLY . . . . . 0.574 ' C ' HE22 ' C' ' 231' ' ' GLN . . . -175.98 18.04 0.04 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 236' ' ' ILE . . . . . 0.507 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 23.9 mt -89.53 114.39 60.31 Favored Pre-proline 0 C--N 1.33 -0.263 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.14 150.03 81.55 Favored 'Trans proline' 0 N--CA 1.488 1.197 0 C-N-CA 121.46 1.44 . . . . 0.0 111.487 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -47.63 -56.74 2.82 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.337 2.025 . . . . 0.0 111.854 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 239' ' ' ASP . . . . . 0.486 ' O ' ' NE ' ' C' ' 272' ' ' ARG . 2.6 p-10 -50.14 -21.44 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.54 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -106.54 33.89 3.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.634 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 241' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 79.6 mt-30 -134.37 150.25 50.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.604 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 242' ' ' ARG . . . . . 0.492 ' NH2' ' OD1' ' D' ' 328' ' ' ASN . 41.7 ttt85 -155.63 115.79 3.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.166 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 243' ' ' LEU . . . . . 0.502 ' CD1' ' N ' ' C' ' 243' ' ' LEU . 6.6 mp -93.71 126.48 38.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.801 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.4 mt -128.33 117.59 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 245' ' ' PHE . . . . . 0.53 ' CE2' ' OD2' ' A' ' 25' ' ' ASP . 44.9 t80 -105.71 77.41 1.26 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.896 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 62.21 89.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.808 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 247' ' ' GLY . . . . . 0.58 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 45.92 43.01 12.12 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -150.81 97.66 2.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 110.697 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 249' ' ' GLN . . . . . 0.579 HE21 ' C ' ' C' ' 250' ' ' LEU . 0.3 OUTLIER -76.62 118.23 19.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.096 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 250' ' ' LEU . . . . . 0.579 ' C ' HE21 ' C' ' 249' ' ' GLN . 10.7 mt -77.51 137.47 38.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 111.044 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -80.8 160.37 24.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.4 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.62 -7.04 59.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.867 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -117.52 40.95 2.19 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -137.23 175.41 9.64 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 255' ' ' THR . . . . . 0.489 ' C ' ' H ' ' C' ' 257' ' ' SER . 21.9 p -119.36 157.2 28.64 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.542 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 256' ' ' LEU . . . . . 0.411 ' CD1' HG21 ' C' ' 217' ' ' VAL . 94.1 mt -57.87 -3.63 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.606 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 257' ' ' SER . . . . . 0.489 ' H ' ' C ' ' C' ' 255' ' ' THR . 76.9 p -96.4 -20.58 18.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.623 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.8 10.82 4.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.705 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -140.59 8.9 2.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.61 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 260' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' C' ' 260' ' ' ASN . 3.1 t30 61.33 14.35 5.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 74.0 mt -61.74 94.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.366 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 262' ' ' GLN . . . . . 0.418 ' C ' ' SD ' ' C' ' 201' ' ' MET . 3.7 tt0 -76.95 -156.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.697 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -83.71 156.9 22.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.932 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 59.57 33.8 22.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.963 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 39.9 m -89.19 126.84 35.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.534 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 9.6 m -85.67 110.73 19.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.562 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 11.9 mt -99.45 120.46 39.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.706 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 268' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -76.82 113.47 14.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.343 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 30.1 tp -90.09 124.08 34.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.61 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 270' ' ' VAL . . . . . 0.426 ' CG2' HD13 ' D' ' 336' ' ' LEU . 2.2 t -124.78 139.45 50.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.179 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 271' ' ' LEU . . . . . 0.633 ' N ' HD12 ' C' ' 271' ' ' LEU . 8.3 mp -74.71 103.58 5.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.657 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 272' ' ' ARG . . . . . 0.486 ' NE ' ' O ' ' C' ' 239' ' ' ASP . 53.2 ttp85 -61.1 105.43 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.483 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 273' ' ' LEU . . . . . . . . . . . . . 23.2 mt -71.75 171.61 11.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.624 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.588 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.75 0.309 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -84.73 92.84 8.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.512 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 15.2 mt -95.09 33.65 1.5 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.543 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 56.2 m -91.19 18.53 6.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.657 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -144.37 26.52 1.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.587 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -96.23 171.24 8.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.397 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 319' ' ' LYS . . . . . 0.418 ' H ' ' HB2' ' D' ' 322' ' ' GLU . 27.6 mmtp -121.58 165.83 15.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.497 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -54.22 -49.02 70.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.554 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 321' ' ' ALA . . . . . 0.41 ' O ' ' CB ' ' D' ' 325' ' ' ASP . . . -63.11 -41.35 99.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 322' ' ' GLU . . . . . 0.418 ' HB2' ' H ' ' D' ' 319' ' ' LYS . 64.0 mm-40 -56.56 -59.43 5.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.748 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 323' ' ' LEU . . . . . 0.53 HD21 ' CD ' ' D' ' 342' ' ' GLU . 15.3 mt -58.19 -57.82 11.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.643 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 324' ' ' ARG . . . . . 0.68 ' NH1' HD21 ' D' ' 328' ' ' ASN . 10.5 tpt85 -53.99 -53.28 55.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.064 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 325' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' D' ' 329' ' ' THR . 36.5 t70 -63.32 -44.75 94.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.968 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 326' ' ' THR . . . . . 0.457 ' O ' ' CB ' ' D' ' 330' ' ' SER . 65.6 m -59.12 -39.29 81.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.606 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 327' ' ' ILE . . . . . 0.552 HG23 HD22 ' D' ' 336' ' ' LEU . 78.7 mt -73.31 -32.97 39.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.176 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 328' ' ' ASN . . . . . 0.68 HD21 ' NH1' ' D' ' 324' ' ' ARG . 0.9 OUTLIER -85.33 -21.73 28.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.975 -179.701 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.492 ' N ' ' O ' ' D' ' 325' ' ' ASP . 57.9 p -102.28 -36.56 8.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.926 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 330' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' D' ' 326' ' ' THR . 1.2 t -92.04 179.55 5.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.971 0.415 . . . . 0.0 111.039 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 331' ' ' CYS . . . . . 0.58 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 11.3 p -147.24 9.56 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.213 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 332' ' ' ASP . . . . . 0.43 ' CB ' HD12 ' D' ' 335' ' ' LEU . 0.7 OUTLIER -66.35 93.85 0.24 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.432 -179.672 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 1.6 mt -38.52 -46.51 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.953 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -53.28 -57.34 10.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.114 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 335' ' ' LEU . . . . . 0.508 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 9.5 mt -57.72 -46.22 84.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.018 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 336' ' ' LEU . . . . . 0.552 HD22 HG23 ' D' ' 327' ' ' ILE . 93.3 mt -51.51 -43.07 62.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.51 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -67.22 -49.08 65.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.707 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -68.13 -32.85 73.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.984 0.421 . . . . 0.0 110.714 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 339' ' ' CYS . . . . . 0.508 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 84.3 m -68.29 -43.37 77.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.19 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 340' ' ' ARG . . . . . 0.4 ' CZ ' ' CB ' ' D' ' 340' ' ' ARG . 10.1 mtp-105 -69.55 -40.45 76.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.942 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 341' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' D' ' 342' ' ' GLU . 5.1 pt-20 -63.84 -43.93 94.69 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.632 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 342' ' ' GLU . . . . . 0.53 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.8 pt-20 -69.86 -37.88 76.24 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.182 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -59.53 -45.56 91.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.884 0.373 . . . . 0.0 110.277 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -66.97 -53.46 31.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.466 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -45.84 -54.84 7.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.235 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.443 179.896 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.833 0.349 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.3 p30 -79.31 93.63 5.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.454 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.8 mt -91.31 43.7 1.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.8 t -86.24 -5.34 59.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.794 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.9 mttp -147.59 78.19 1.45 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.776 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -128.77 163.21 25.66 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.355 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -107.35 164.34 12.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.536 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -63.08 -49.29 75.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.411 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.05 -38.87 84.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.635 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -63.11 -56.72 14.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.743 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.513 HD21 ' CD ' ' A' ' 42' ' ' GLU . 15.1 mt -54.37 -58.33 7.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.617 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.519 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 5.9 tpt180 -53.01 -52.28 58.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.519 ' OD1' ' CE2' ' C' ' 245' ' ' PHE . 36.8 t0 -53.02 -51.57 61.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.332 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 30' ' ' SER . 6.5 m -50.96 -47.91 61.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.863 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.9 mt -74.36 -18.31 16.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.828 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.668 HD22 ' N ' ' A' ' 28' ' ' ASN . 0.8 OUTLIER -99.63 -4.13 31.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.17 -179.781 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 20.6 p -135.45 -40.74 0.72 Allowed 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.074 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.524 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.9 OUTLIER -71.98 168.42 18.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.968 0.413 . . . . 0.0 111.095 -179.358 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.7 p -146.78 88.01 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.319 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -162.42 99.7 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.604 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.409 HG13 ' H ' ' A' ' 33' ' ' ILE . 5.4 mt -39.87 -36.69 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.633 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -62.1 -58.94 5.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.261 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.0 mt -60.62 -48.29 82.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.046 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.0 mt -53.87 -46.78 71.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.512 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.78 -49.09 79.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.432 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.12 -53.17 59.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.493 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 78.9 m -51.75 -43.65 63.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.371 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.8 mtp85 -65.91 -38.27 88.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.522 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -62.32 -46.05 90.45 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.945 -179.261 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.522 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 3.7 pt-20 -71.08 -35.34 71.82 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.475 ' CG ' HD13 ' B' ' 173' ' ' LEU . 2.9 t80 -61.43 -42.34 98.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.899 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -68.61 -53.82 20.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.282 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 84.0 mtt-85 -46.42 -53.48 10.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.94 0.4 . . . . 0.0 110.247 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -47.31 -40.57 17.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.51 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.6 mt -72.75 -49.19 32.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.552 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -48.83 -51.68 28.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.595 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.9 m -75.1 -171.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.585 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -77.28 64.56 2.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.625 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 78.7 m80 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.653 -179.91 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.543 ' N ' ' O ' ' B' ' 117' ' ' VAL . 30.3 ttp . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . 0.522 ' OE1' ' N ' ' B' ' 103' ' ' ILE . 0.9 OUTLIER -91.4 130.41 37.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.491 179.852 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.522 ' N ' ' OE1' ' B' ' 102' ' ' GLN . 24.6 pt -134.75 146.3 30.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.79 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -100.62 136.4 40.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.735 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 85.4 t -122.82 105.09 15.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.279 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -91.22 135.33 33.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.678 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 31.3 p -90.78 -163.35 1.01 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.408 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.955 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.4 OUTLIER -86.31 -26.48 24.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.505 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 4.5 p -76.78 -46.13 26.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.562 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 142.21 3.5 1.04 Allowed Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -75.71 129.41 37.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.734 0.302 . . . . 0.0 110.659 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 64.6 m -112.15 111.67 22.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.543 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.401 HD13 HG21 ' B' ' 113' ' ' ILE . 7.9 mt -97.45 133.52 38.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.56 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . 0.482 ' C ' HD22 ' B' ' 115' ' ' LEU . 34.5 m -99.7 105.55 17.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.397 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.836 HD22 ' N ' ' B' ' 115' ' ' LEU . 1.9 mm? -101.65 133.21 46.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.762 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -96.22 95.17 7.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.85 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' B' ' 101' ' ' MET . 19.3 m -119.54 -162.37 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.012 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.548 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 17.4 mt-10 -147.78 152.87 41.9 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.841 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -46.04 -43.6 20.04 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.773 2.315 . . . . 0.0 112.759 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.76 15.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.463 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . 0.548 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 2.9 m-20 -91.59 136.07 33.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.363 . . . . 0.0 110.404 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 3.6 p -82.34 140.41 33.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.045 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 34.3 mm -46.53 -47.25 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.235 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -52.79 -37.02 59.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.201 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -65.0 -41.94 94.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.988 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 17.6 t -62.16 -39.81 85.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.963 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -61.09 -36.92 80.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.204 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.71 -42.06 91.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.182 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -61.37 -51.61 68.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.372 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 69.1 mt -56.35 -46.08 81.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.399 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . 0.432 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.7 OUTLIER -55.53 -31.87 62.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.12 179.806 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -70.11 -37.97 75.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.353 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -72.65 -63.68 1.11 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.22 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -79.93 -117.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.633 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -165.26 9.91 0.07 OUTLIER Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.439 ' O ' ' OE1' ' B' ' 141' ' ' GLN . 25.7 mt -79.75 116.31 60.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.91 152.12 76.88 Favored 'Trans proline' 0 C--N 1.314 -1.282 0 C-N-CA 121.497 1.465 . . . . 0.0 111.454 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -47.28 -67.97 0.1 Allowed 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.444 2.096 . . . . 0.0 112.004 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -43.49 -22.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' B' ' 138' ' ' PRO . 23.8 mt-30 -102.63 35.61 2.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.814 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . 0.439 ' OE1' ' O ' ' B' ' 136' ' ' ILE . 33.7 mt-30 -134.62 165.92 24.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.9 0.381 . . . . 0.0 110.811 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . 0.689 HH21 ' NE ' ' B' ' 172' ' ' ARG . 23.1 ttm180 -170.32 132.16 1.0 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.093 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 14.8 mt -112.77 135.27 53.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.061 0.458 . . . . 0.0 111.063 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.7 mt -125.09 128.91 73.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.095 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -146.6 153.62 40.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.555 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 54.56 26.49 7.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 67.9 30.88 74.57 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -147.9 140.48 24.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.746 0.308 . . . . 0.0 110.47 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . 0.572 ' NE2' ' CZ ' ' B' ' 142' ' ' ARG . 31.0 tt0 -73.85 139.24 44.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.516 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 17.5 mt -91.3 139.23 30.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.678 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -78.92 158.29 28.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.575 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.09 3.72 45.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.703 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -122.9 23.81 6.88 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -125.4 172.54 9.55 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 30.4 p -113.83 157.63 22.06 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.893 0.378 . . . . 0.0 110.521 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . 0.497 ' CD1' HG21 ' B' ' 117' ' ' VAL . 64.0 mt -57.24 -22.23 39.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.513 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 7.8 t -79.16 -20.63 47.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.589 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -82.08 12.09 4.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.603 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -140.74 9.75 2.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.545 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 62.78 16.29 8.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 97.2 mt -68.4 92.24 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.809 0.338 . . . . 0.0 110.354 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -78.63 -157.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.749 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . 0.426 ' NH1' ' CG ' ' B' ' 163' ' ' ARG . 14.2 ptt-85 -80.38 161.2 25.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.688 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 57.57 34.33 24.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.753 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 8.6 m -89.45 129.33 35.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.463 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 15.2 m -94.18 99.99 12.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.638 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 2.0 mp -91.77 152.12 20.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.59 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 168' ' ' HIS . . . . . 0.68 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -100.59 117.16 34.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.081 179.715 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 40.0 tp -92.06 130.92 37.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.429 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.0 t -135.88 139.57 45.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.337 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.682 HD12 ' N ' ' B' ' 171' ' ' LEU . 7.8 mp -81.08 110.25 16.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.543 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . 0.689 ' NE ' HH21 ' B' ' 142' ' ' ARG . 16.9 ttm180 -66.02 104.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.547 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 173' ' ' LEU . . . . . 0.475 HD13 ' CG ' ' A' ' 43' ' ' PHE . 25.4 mt -76.61 102.47 6.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.489 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 16.7 ttp85 -77.63 156.61 30.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 160.05 121.79 0.61 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.682 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 201' ' ' MET . . . . . 0.521 ' N ' ' O ' ' C' ' 217' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -88.58 113.85 24.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.758 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 15.5 pt -107.39 147.74 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.584 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -100.82 145.43 28.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.451 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 91.1 t -129.18 109.12 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.315 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -83.96 138.04 33.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.75 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 18.4 p -101.81 -150.45 0.4 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.346 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 208' ' ' LEU . . . . . 0.943 ' H ' HD22 ' C' ' 208' ' ' LEU . 0.4 OUTLIER -88.8 -44.48 10.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.518 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 209' ' ' THR . . . . . 0.489 ' C ' ' H ' ' C' ' 211' ' ' LYS . 7.5 p -74.39 23.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.599 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 210' ' ' GLY . . . . . 0.488 ' H ' ' C ' ' C' ' 208' ' ' LEU . . . 72.75 -18.23 1.42 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 211' ' ' LYS . . . . . 0.489 ' H ' ' C ' ' C' ' 209' ' ' THR . 78.6 tttt -46.14 159.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.725 0.298 . . . . 0.0 110.559 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 6.6 m -139.49 146.04 39.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.589 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 213' ' ' ILE . . . . . 0.41 HD13 HG21 ' C' ' 213' ' ' ILE . 4.6 mt -128.41 129.67 69.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.73 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 17.4 m -100.67 116.89 33.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.206 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 29.9 mt -124.72 137.38 54.35 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.911 0.386 . . . . 0.0 110.915 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -82.06 126.59 32.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.11 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 217' ' ' VAL . . . . . 0.521 ' O ' ' N ' ' C' ' 201' ' ' MET . 12.9 m -147.05 -174.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.949 0.404 . . . . 0.0 111.002 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 218' ' ' GLU . . . . . 0.589 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 2.9 mt-10 -140.54 149.91 58.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.694 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.9 -43.72 15.05 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.333 2.022 . . . . 0.0 112.293 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.4 p -62.66 -34.44 77.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.093 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 221' ' ' ASP . . . . . 0.589 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 5.9 m-20 -41.65 135.31 2.22 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 110.817 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 41.4 p -86.35 149.13 25.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.804 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 29.8 mm -54.47 -43.95 65.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.321 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 224' ' ' GLU . . . . . 0.42 ' CD ' ' N ' ' C' ' 225' ' ' ASN . 2.4 pp20? -57.2 -39.24 75.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.331 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 225' ' ' ASN . . . . . 0.52 ' OD1' ' NZ ' ' C' ' 229' ' ' LYS . 46.4 t-20 -63.37 -38.37 90.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.086 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 55.4 t -65.04 -55.1 22.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.173 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 227' ' ' LYS . . . . . 0.511 ' NZ ' ' O ' ' C' ' 241' ' ' GLN . 43.5 mttm -48.16 -39.51 21.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.164 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.79 89.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.25 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 229' ' ' LYS . . . . . 0.52 ' NZ ' ' OD1' ' C' ' 225' ' ' ASN . 38.3 mttp -56.2 -39.81 73.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.351 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 6.6 mt -67.44 -37.98 79.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.296 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -62.16 -27.13 68.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.361 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.58 -26.93 29.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.789 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 26.5 mmtm -82.39 -62.82 1.51 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.756 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -85.07 -104.64 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.806 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -175.79 19.55 0.05 OUTLIER Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 236' ' ' ILE . . . . . 0.517 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 17.6 mt -95.18 111.36 54.63 Favored Pre-proline 0 C--N 1.33 -0.266 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -63.74 153.4 75.61 Favored 'Trans proline' 0 C--N 1.314 -1.277 0 C-N-CA 121.604 1.536 . . . . 0.0 111.777 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 238' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.8 Cg_endo -46.76 -60.4 0.89 Allowed 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.673 2.248 . . . . 0.0 111.871 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -45.56 -23.04 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.612 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 240' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' C' ' 238' ' ' PRO . 0.6 OUTLIER -109.56 36.02 3.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.473 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 241' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 55.3 mt-30 -134.42 147.53 50.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.31 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 242' ' ' ARG . . . . . 0.648 ' NH2' HE22 ' C' ' 249' ' ' GLN . 1.1 ttt-85 -154.9 105.84 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.127 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 19.6 mt -86.53 128.34 34.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.615 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.6 mt -127.95 133.13 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.619 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 245' ' ' PHE . . . . . 0.519 ' CE2' ' OD1' ' A' ' 25' ' ' ASP . 65.9 t80 -125.35 90.13 3.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.664 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 246' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' C' ' 245' ' ' PHE . . . 64.42 53.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.804 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 247' ' ' GLY . . . . . 0.512 ' H ' ' HB3' ' D' ' 331' ' ' CYS . . . 77.25 -15.41 6.94 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -81.89 94.28 7.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.349 . . . . 0.0 110.597 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 249' ' ' GLN . . . . . 0.648 HE22 ' NH2' ' C' ' 242' ' ' ARG . 26.8 tt0 -71.66 124.34 24.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.129 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 9.0 mt -83.66 133.77 34.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 110.843 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 251' ' ' GLU . . . . . 0.471 ' CD ' ' N ' ' C' ' 251' ' ' GLU . 1.2 mp0 -86.85 161.43 18.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.44 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.66 -28.15 60.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.865 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -94.92 41.97 2.45 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 36.5 mmt-85 -139.69 177.96 7.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.73 0.3 . . . . 0.0 110.498 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 40.8 p -123.72 164.85 18.3 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.619 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 97.6 mt -65.85 -12.76 56.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.683 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 257' ' ' SER . . . . . 0.489 ' C ' ' H ' ' C' ' 259' ' ' TYR . 9.4 t -85.77 -31.26 22.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.648 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.8 17.21 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.619 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 259' ' ' TYR . . . . . 0.489 ' H ' ' C ' ' C' ' 257' ' ' SER . 65.6 m-85 -140.62 1.77 1.75 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.599 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 2.4 m120 64.13 20.01 12.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 87.5 mt -68.67 102.96 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.442 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -80.79 -156.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.81 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 263' ' ' LYS . . . . . 0.443 ' HD3' ' H ' ' C' ' 263' ' ' LYS . 0.0 OUTLIER -85.41 159.78 19.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.735 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 53.06 32.16 12.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.706 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 53.9 m -81.8 128.75 34.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.513 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 85.5 m -88.81 104.91 17.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.549 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 8.2 mt -91.76 167.25 12.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.586 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 268' ' ' HIS . . . . . 0.627 ' ND1' ' N ' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -121.97 98.31 5.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.021 179.778 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 63.2 tp -78.47 148.57 33.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.781 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 270' ' ' VAL . . . . . 0.485 HG22 HD13 ' D' ' 336' ' ' LEU . 2.1 t -145.29 165.61 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.249 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 271' ' ' LEU . . . . . 0.534 ' N ' HD12 ' C' ' 271' ' ' LEU . 7.5 mp -101.45 84.55 2.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.387 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -45.64 90.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.499 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 273' ' ' LEU . . . . . 0.525 ' O ' ' NH2' ' D' ' 324' ' ' ARG . 26.5 mt -56.8 165.29 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.447 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.481 179.958 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.817 0.342 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.01 92.84 6.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.481 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 315' ' ' LEU . . . . . 0.401 HD12 ' OE1' ' D' ' 342' ' ' GLU . 13.8 mt -96.39 36.62 1.33 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.585 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 31.6 p -84.73 18.47 2.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.607 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -146.65 40.9 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.65 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -109.86 176.72 4.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.454 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 319' ' ' LYS . . . . . 0.508 ' N ' ' OE1' ' D' ' 322' ' ' GLU . 35.0 mttp -125.39 169.86 11.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.614 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -61.6 -46.63 89.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.524 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 321' ' ' ALA . . . . . 0.404 ' O ' ' CB ' ' D' ' 325' ' ' ASP . . . -60.4 -50.36 73.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.687 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 322' ' ' GLU . . . . . 0.508 ' OE1' ' N ' ' D' ' 319' ' ' LYS . 66.3 mt-10 -54.93 -56.9 14.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.827 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 323' ' ' LEU . . . . . 0.554 HD21 ' CD ' ' D' ' 342' ' ' GLU . 14.2 mt -58.91 -59.74 4.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.661 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 324' ' ' ARG . . . . . 0.525 ' NH2' ' O ' ' C' ' 273' ' ' LEU . 6.9 tpt180 -52.95 -41.28 64.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.685 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 325' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' D' ' 329' ' ' THR . 10.1 t70 -68.53 -45.87 71.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.745 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 326' ' ' THR . . . . . 0.548 ' O ' ' N ' ' D' ' 330' ' ' SER . 29.6 m -57.53 -46.27 84.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.567 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 327' ' ' ILE . . . . . 0.44 HG23 HD22 ' D' ' 336' ' ' LEU . 96.5 mt -72.1 -31.15 38.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.606 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 328' ' ' ASN . . . . . 0.556 HD22 ' N ' ' D' ' 328' ' ' ASN . 0.9 OUTLIER -84.31 -22.92 30.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.026 -179.508 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.517 ' N ' ' O ' ' D' ' 325' ' ' ASP . 61.8 p -108.8 -49.15 3.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.923 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 330' ' ' SER . . . . . 0.548 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.4 OUTLIER -74.36 178.55 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.002 0.429 . . . . 0.0 110.859 -179.563 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 331' ' ' CYS . . . . . 0.512 ' HB3' ' H ' ' C' ' 247' ' ' GLY . 3.0 p -146.46 9.43 1.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.12 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -66.13 91.61 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.485 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . 0.683 ' HA ' HD12 ' D' ' 336' ' ' LEU . 2.2 mt -38.31 -40.8 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.856 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -56.46 -54.73 42.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.236 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 335' ' ' LEU . . . . . 0.497 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 10.1 mt -62.86 -36.56 83.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.301 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 336' ' ' LEU . . . . . 0.683 HD12 ' HA ' ' D' ' 333' ' ' ILE . 93.2 mt -57.01 -43.74 82.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.115 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -69.53 -49.05 58.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.671 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.77 -40.08 94.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.469 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 339' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 85.3 m -64.82 -42.23 95.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.079 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 -66.27 -44.14 84.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.157 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 341' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' D' ' 342' ' ' GLU . 4.2 pt-20 -62.35 -45.07 94.83 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.861 -179.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 342' ' ' GLU . . . . . 0.554 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.2 pt-20 -67.9 -35.96 79.37 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.14 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -60.75 -43.61 97.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.965 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -66.18 -53.09 41.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.197 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -46.34 -54.65 8.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.362 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.581 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 16.7 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.709 0.29 . . . . 0.0 110.598 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.75 92.97 6.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.562 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.5 mt -94.99 44.9 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.383 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.6 t -80.37 15.88 1.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -172.36 84.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.658 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.6 m95 -133.96 161.75 33.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.318 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -105.37 165.57 11.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.758 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -66.29 -48.49 70.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.621 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.63 -36.3 82.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.804 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.54 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 3.6 mp0 -67.58 -49.12 64.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.573 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.542 HD21 ' CD ' ' A' ' 42' ' ' GLU . 15.3 mt -58.75 -58.99 6.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.286 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.656 HH21 ' NH1' ' B' ' 142' ' ' ARG . 5.5 tpt180 -53.12 -53.14 54.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.449 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.46 ' OD1' ' CZ ' ' C' ' 245' ' ' PHE . 60.7 t0 -52.82 -50.96 62.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.436 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.582 ' O ' ' N ' ' A' ' 30' ' ' SER . 99.5 m -51.16 -48.9 61.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.726 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.5 -25.48 33.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.505 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.664 HD22 ' N ' ' A' ' 28' ' ' ASN . 0.8 OUTLIER -93.08 -7.44 45.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 -179.462 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 14.2 p -129.02 -6.24 4.96 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.656 0.265 . . . . 0.0 110.734 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.582 ' N ' ' O ' ' A' ' 26' ' ' THR . 2.4 t -121.04 147.26 45.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.906 0.384 . . . . 0.0 110.812 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.432 ' HB3' ' H ' ' B' ' 147' ' ' GLY . 12.4 p -119.97 17.18 12.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.041 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' ILE . 10.7 m-20 -75.24 90.94 2.61 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.586 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.636 ' HA ' HD12 ' A' ' 36' ' ' LEU . 3.1 mt -38.7 -39.08 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.824 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -58.62 -59.02 6.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.38 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.449 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 13.4 mt -58.69 -40.17 82.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.139 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 33' ' ' ILE . 90.6 mt -55.74 -43.53 76.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.282 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.04 -48.9 66.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.371 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.65 -45.65 93.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.435 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 71.6 m -59.79 -53.47 57.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.124 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.5 mtp85 -52.99 -42.69 65.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.241 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -57.86 -60.93 2.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.78 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.542 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.4 pt-20 -60.89 -37.87 83.71 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.559 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.462 ' CD1' HD13 ' B' ' 173' ' ' LEU . 12.1 t80 -57.86 -39.4 77.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.348 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -72.04 -53.17 13.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.369 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 59.6 mtt85 -45.86 -48.17 15.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.39 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 -50.5 -34.66 26.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.408 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.0 mt -90.16 -60.19 1.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.564 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -47.16 -30.78 3.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.609 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.439 HG12 ' N ' ' A' ' 50' ' ' TYR . 21.4 t -101.5 158.51 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.459 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 50' ' ' TYR . 11.9 p90 -154.83 50.5 0.6 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.546 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.595 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.523 ' N ' ' O ' ' B' ' 117' ' ' VAL . 31.6 ttp . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -87.1 130.44 34.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.725 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 18.6 pt -132.24 153.28 38.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.461 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -111.34 145.65 38.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.72 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 98.4 t -123.27 109.65 24.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.362 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -82.33 137.25 34.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.645 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . 0.413 HG23 ' O ' ' B' ' 111' ' ' LYS . 64.4 p -103.25 -156.67 0.57 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.397 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.928 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.4 OUTLIER -83.87 -58.4 2.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.466 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 19.8 p -61.22 0.12 0.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.58 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' B' ' 108' ' ' LEU . . . 95.3 -13.32 66.97 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.413 ' O ' HG23 ' B' ' 107' ' ' THR . 43.1 tttp -53.97 122.04 9.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 110.46 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.1 m -104.64 142.61 34.35 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.473 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.416 HD13 HG21 ' B' ' 113' ' ' ILE . 5.7 mt -122.66 129.81 74.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.522 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 8.8 m -99.4 124.85 44.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.361 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 28.0 mt -130.91 140.68 50.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.906 0.384 . . . . 0.0 110.674 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.46 ' N ' ' CD ' ' B' ' 116' ' ' GLU . 19.3 mp0 -89.9 120.65 31.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.221 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' B' ' 101' ' ' MET . 4.1 m -142.01 -168.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.836 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.576 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 10.5 mt-10 -144.88 147.59 35.78 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.017 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.06 -9.8 0.05 OUTLIER 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.32 2.014 . . . . 0.0 112.25 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . 0.495 ' N ' ' O ' ' B' ' 118' ' ' GLU . 2.4 p -104.64 11.74 33.78 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.882 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . 0.576 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 1.1 m-20 -86.35 135.37 33.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.326 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 7.9 p -81.95 134.74 35.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 30.9 mm -44.93 -46.57 2.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.258 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -54.06 -36.41 63.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.15 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.61 -41.62 92.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.087 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 18.2 t -62.77 -42.75 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.027 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -58.34 -39.04 78.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.094 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.15 97.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.195 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -60.39 -50.3 74.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.286 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 79.2 mt -57.17 -47.09 84.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.372 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.01 -29.74 58.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.309 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -72.61 -40.19 66.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.45 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -71.21 -64.91 0.82 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.215 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -77.91 -116.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.501 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -167.11 10.66 0.06 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.443 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 40.4 mt -80.76 116.28 61.22 Favored Pre-proline 0 C--N 1.33 -0.273 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.2 152.84 63.23 Favored 'Trans proline' 0 C--N 1.315 -1.234 0 C-N-CA 121.446 1.431 . . . . 0.0 111.618 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -47.22 -60.97 0.68 Allowed 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.451 2.101 . . . . 0.0 111.832 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -47.04 -23.28 0.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.603 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -101.03 30.95 3.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.673 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 85.8 mt-30 -134.42 142.03 47.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.605 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . 0.656 ' NH1' HH21 ' A' ' 24' ' ' ARG . 17.1 ttm180 -151.69 114.5 4.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.295 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.7 mt -92.2 132.98 36.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.043 0.449 . . . . 0.0 110.95 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.9 mt -128.98 142.7 43.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.297 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . 0.427 ' O ' ' HB3' ' B' ' 146' ' ' ALA . 59.5 t80 -144.8 102.58 3.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.622 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' B' ' 145' ' ' PHE . . . 66.48 69.12 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.773 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . 0.432 ' H ' ' HB3' ' A' ' 31' ' ' CYS . . . 42.35 45.21 5.26 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -149.69 116.84 6.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.594 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . 0.519 ' NE2' ' O ' ' B' ' 150' ' ' LEU . 19.0 tm0? -78.76 126.46 30.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.175 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.519 ' O ' ' NE2' ' B' ' 149' ' ' GLN . 10.2 mt -79.13 117.3 20.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 0.0 110.692 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -53.36 156.01 2.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.546 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.18 -13.85 42.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -110.9 36.97 3.94 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -139.42 171.65 13.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.767 0.318 . . . . 0.0 110.37 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . 0.491 ' N ' ' OD2' ' B' ' 158' ' ' ASP . 7.3 p -107.48 159.59 16.29 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.681 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' B' ' 159' ' ' TYR . 48.2 mt -52.61 -47.46 66.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.589 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . 0.474 ' C ' ' H ' ' B' ' 159' ' ' TYR . 22.8 p -45.05 -31.72 1.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . 0.491 ' OD2' ' N ' ' B' ' 155' ' ' THR . 11.7 m-20 -66.96 6.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.7 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . 0.474 ' H ' ' C ' ' B' ' 157' ' ' SER . 78.4 m-85 -140.64 20.37 2.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.517 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 41.14 40.23 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 84.6 mt -82.73 105.0 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.305 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -81.53 -162.56 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.723 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -80.58 161.62 24.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.648 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 56.0 33.34 21.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.748 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 39.9 m -87.89 127.56 35.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.551 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 8.6 m -91.59 100.48 13.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.524 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.6 mt -82.09 164.01 21.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.455 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 168' ' ' HIS . . . . . 0.638 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.2 OUTLIER -115.72 100.66 8.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.282 179.802 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 66.5 tp -80.66 145.34 31.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.717 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 170' ' ' VAL . . . . . 0.406 HG22 HD13 ' A' ' 36' ' ' LEU . 2.2 t -147.05 138.04 17.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.266 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.646 HD12 ' N ' ' B' ' 171' ' ' LEU . 8.2 mp -82.24 110.1 17.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.503 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . 0.59 ' HE ' ' H ' ' B' ' 175' ' ' GLY . 49.5 ttt180 -62.72 112.71 2.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.302 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 173' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 43' ' ' PHE . 10.2 mt -81.54 72.87 8.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.605 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 45.71 94.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.658 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 175' ' ' GLY . . . . . 0.59 ' H ' ' HE ' ' B' ' 172' ' ' ARG . . . -87.26 -158.22 32.25 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.649 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 201' ' ' MET . . . . . 0.534 ' N ' ' O ' ' C' ' 217' ' ' VAL . 33.1 ttp . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -89.97 115.18 27.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.728 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 11.7 pt -110.15 144.6 17.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.422 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -95.13 140.94 29.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.728 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 49.4 t -129.73 110.78 20.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.469 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -93.0 133.22 36.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.611 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 46.6 p -91.67 -163.45 1.04 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.359 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 208' ' ' LEU . . . . . 0.883 HD12 ' N ' ' C' ' 208' ' ' LEU . 1.6 mp -100.94 24.7 8.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.491 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 1.7 p -136.61 -0.82 2.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.533 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 94.36 27.96 11.22 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -103.19 110.84 22.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.324 . . . . 0.0 110.5 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 54.9 m -103.07 105.17 15.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.611 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 213' ' ' ILE . . . . . 0.446 HG22 ' H ' ' C' ' 214' ' ' THR . 0.6 OUTLIER -88.31 -179.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.152 179.794 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 214' ' ' THR . . . . . 0.446 ' H ' HG22 ' C' ' 213' ' ' ILE . 98.0 m -142.18 96.12 2.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.067 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 215' ' ' LEU . . . . . 0.734 HD22 ' N ' ' C' ' 215' ' ' LEU . 2.9 mm? -92.71 128.73 38.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.96 0.409 . . . . 0.0 110.967 -179.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -87.07 121.32 29.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.011 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 217' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' C' ' 201' ' ' MET . 33.7 m -149.64 -165.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 0.0 110.96 -179.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 218' ' ' GLU . . . . . 0.584 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 2.0 mt-10 -141.08 148.76 53.16 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.719 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.02 -27.13 4.03 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.412 2.075 . . . . 0.0 112.471 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.18 13.59 12.88 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 121.009 -0.277 . . . . 0.0 111.024 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 221' ' ' ASP . . . . . 0.584 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 1.2 m-20 -86.14 135.76 33.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.44 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 222' ' ' THR . . . . . 0.527 ' OG1' ' ND2' ' C' ' 225' ' ' ASN . 7.2 p -83.71 133.57 34.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.721 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 28.5 mm -40.55 -42.47 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.455 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -56.21 -45.12 80.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.407 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 225' ' ' ASN . . . . . 0.604 HD22 ' N ' ' C' ' 225' ' ' ASN . 0.8 OUTLIER -60.72 -39.97 90.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.07 179.609 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 11.9 t -60.86 -44.55 97.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.074 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 227' ' ' LYS . . . . . 0.437 ' O ' ' OE1' ' C' ' 241' ' ' GLN . 74.1 mttt -56.74 -43.4 80.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.117 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -58.54 -44.17 89.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.232 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -58.96 -44.61 91.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.373 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 20.9 mt -61.49 -34.11 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.22 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -65.61 -35.56 81.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.218 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -72.34 -25.61 61.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.559 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 44.8 mmtt -83.6 -65.79 0.97 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.505 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -81.76 -88.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.501 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 159.98 8.64 0.05 OUTLIER Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 236' ' ' ILE . . . . . 0.52 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 49.2 mt -77.05 130.4 75.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -54.61 146.1 55.69 Favored 'Trans proline' 0 C--N 1.315 -1.225 0 C-N-CA 121.673 1.582 . . . . 0.0 111.632 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -51.96 -34.79 57.96 Favored 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 122.134 1.889 . . . . 0.0 111.75 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 239' ' ' ASP . . . . . 0.515 ' OD1' ' NH2' ' C' ' 272' ' ' ARG . 32.2 t70 -67.08 -44.74 79.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.656 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -82.1 39.81 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.686 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 241' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 78.7 mt-30 -134.49 73.7 1.5 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.749 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 242' ' ' ARG . . . . . 0.499 ' NE ' ' OE1' ' C' ' 249' ' ' GLN . 20.5 ttm180 -89.99 119.17 30.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.177 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 15.8 mt -96.93 132.99 42.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.016 0.436 . . . . 0.0 110.895 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.6 mt -128.2 123.07 59.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.11 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 245' ' ' PHE . . . . . 0.534 ' O ' ' HB3' ' C' ' 246' ' ' ALA . 57.5 t80 -114.54 76.52 1.0 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.942 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 246' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' C' ' 245' ' ' PHE . . . 71.78 89.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.685 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 247' ' ' GLY . . . . . 0.503 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 39.41 27.19 0.08 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 248' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' C' ' 246' ' ' ALA . 16.2 mmtm -131.82 97.5 4.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.83 0.348 . . . . 0.0 110.505 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 249' ' ' GLN . . . . . 0.499 ' OE1' ' NE ' ' C' ' 242' ' ' ARG . 9.3 tt0 -73.13 125.95 28.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.27 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 11.4 mt -80.83 131.65 35.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.729 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -79.31 159.93 27.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.439 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.94 -20.61 38.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.743 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -102.47 38.35 3.24 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -139.14 174.18 10.78 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 33.0 p -115.65 164.77 13.85 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.911 0.386 . . . . 0.0 110.812 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 256' ' ' LEU . . . . . 0.448 ' CD1' HG21 ' C' ' 217' ' ' VAL . 79.8 mt -60.59 -39.05 86.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.684 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 257' ' ' SER . . . . . . . . . . . . . 5.0 t -58.15 -44.02 87.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.728 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -47.71 -38.4 15.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.659 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -93.59 23.47 4.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.757 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 30.9 t30 46.64 26.05 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 84.2 mt -73.6 102.9 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.349 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -85.15 -157.04 0.28 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -82.86 161.81 21.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.783 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 50.23 32.52 6.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.547 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 38.7 m -91.89 131.47 37.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.614 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 25.7 m -77.83 147.65 35.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.289 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 9.9 mt -139.23 123.31 17.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.652 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 268' ' ' HIS . . . . . 0.64 ' ND1' ' N ' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -78.84 105.57 10.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.235 179.816 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 269' ' ' LEU . . . . . 0.489 ' O ' HD11 ' C' ' 208' ' ' LEU . 61.2 tp -83.11 144.53 29.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.889 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 270' ' ' VAL . . . . . 0.508 HG22 HD13 ' D' ' 336' ' ' LEU . 2.1 t -144.36 156.09 15.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.248 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 271' ' ' LEU . . . . . 0.672 ' N ' HD12 ' C' ' 271' ' ' LEU . 7.1 mp -99.1 92.72 5.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.328 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 272' ' ' ARG . . . . . 0.515 ' NH2' ' OD1' ' C' ' 239' ' ' ASP . 29.1 ttp180 -46.19 112.09 0.44 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.637 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 273' ' ' LEU . . . . . 0.455 HD13 ' CD1' ' D' ' 343' ' ' PHE . 33.8 mt -82.39 137.23 34.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.498 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 75.4 mtt85 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.545 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.825 0.345 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -81.3 92.96 6.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.591 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 11.1 mt -95.2 44.38 1.09 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.544 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 59.8 p -83.23 3.49 30.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.694 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -146.17 72.86 1.31 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.603 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -130.18 167.02 19.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.406 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -114.73 165.55 12.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.732 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 320' ' ' TYR . . . . . 0.406 ' OH ' ' NH1' ' D' ' 324' ' ' ARG . 13.2 t80 -61.46 -48.91 78.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.506 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 321' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' D' ' 325' ' ' ASP . . . -61.9 -43.91 97.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.761 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 322' ' ' GLU . . . . . 0.4 ' O ' ' OG1' ' D' ' 326' ' ' THR . 94.1 mt-10 -57.34 -54.92 41.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.718 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 323' ' ' LEU . . . . . 0.546 HD21 ' CD ' ' D' ' 342' ' ' GLU . 14.5 mt -57.33 -59.41 5.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.773 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 324' ' ' ARG . . . . . 0.473 ' O ' ' ND2' ' D' ' 328' ' ' ASN . 8.7 tpt180 -55.43 -50.1 70.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.7 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 325' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' D' ' 329' ' ' THR . 19.6 t70 -58.42 -48.54 80.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.73 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 326' ' ' THR . . . . . 0.501 ' O ' ' N ' ' D' ' 330' ' ' SER . 64.7 m -55.4 -42.45 74.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.574 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 82.5 mt -72.41 -35.66 52.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.422 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 328' ' ' ASN . . . . . 0.66 HD22 ' N ' ' D' ' 328' ' ' ASN . 0.8 OUTLIER -81.69 -20.55 39.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.939 -179.688 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.501 ' N ' ' O ' ' D' ' 325' ' ' ASP . 72.7 p -105.63 -51.03 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.848 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 330' ' ' SER . . . . . 0.501 ' N ' ' O ' ' D' ' 326' ' ' THR . 1.0 OUTLIER -72.6 -179.52 3.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.012 0.434 . . . . 0.0 110.939 -179.572 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 331' ' ' CYS . . . . . 0.503 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 9.1 p -149.96 12.65 0.77 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.199 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -73.4 93.73 1.98 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.623 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . 0.693 ' HA ' HD12 ' D' ' 336' ' ' LEU . 2.9 mt -38.96 -40.1 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.731 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -57.42 -55.96 28.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.268 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 335' ' ' LEU . . . . . 0.483 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 10.1 mt -60.81 -37.79 83.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.145 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 336' ' ' LEU . . . . . 0.693 HD12 ' HA ' ' D' ' 333' ' ' ILE . 92.5 mt -56.65 -43.27 80.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.167 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -68.29 -49.03 63.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.435 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.98 96.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.458 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 339' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 72.2 m -59.48 -53.34 59.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.225 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 14.0 mtp85 -56.07 -39.18 71.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.366 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -58.93 -52.95 63.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.664 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 342' ' ' GLU . . . . . 0.546 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.6 pt-20 -71.2 -36.41 71.91 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.505 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 343' ' ' PHE . . . . . 0.455 ' CD1' HD13 ' C' ' 273' ' ' LEU . 8.4 t80 -59.31 -35.41 73.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.351 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -79.38 -52.77 7.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.241 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.08 -42.37 13.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.044 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 9.0 mtp85 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.368 179.804 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.792 0.329 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -79.23 92.79 5.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.619 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -102.67 38.35 1.73 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.413 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.8 t -78.15 11.18 2.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.709 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.7 pttt -161.23 81.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 0.0 110.758 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -133.49 163.69 28.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.142 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -105.05 157.75 17.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.609 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 29.3 t80 -59.68 -47.53 85.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.51 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.78 -41.72 98.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.544 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -60.01 -55.67 31.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.519 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.536 HD21 ' CD ' ' A' ' 42' ' ' GLU . 14.8 mt -54.38 -59.66 4.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.324 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.698 ' NH1' HD21 ' A' ' 28' ' ' ASN . 9.1 tpt85 -54.55 -52.68 61.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.322 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' THR . 5.9 t70 -52.38 -51.57 58.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.32 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.545 ' O ' ' N ' ' A' ' 30' ' ' SER . 74.6 m -52.1 -45.09 64.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.346 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.5 mt -70.32 -22.76 24.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.413 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.708 HD22 ' N ' ' A' ' 28' ' ' ASN . 0.7 OUTLIER -99.29 -2.73 35.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.837 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 25' ' ' ASP . 21.4 p -133.59 -4.94 2.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.988 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.545 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.6 t -122.73 145.97 47.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.941 0.4 . . . . 0.0 110.831 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.597 ' SG ' ' CG ' ' B' ' 168' ' ' HIS . 14.5 t -120.66 30.08 7.1 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.351 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.5 94.37 9.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.355 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.438 ' HA ' HD12 ' A' ' 36' ' ' LEU . 2.4 mt -39.79 -41.17 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.863 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -57.22 -59.15 5.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.454 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.84 -46.7 84.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.976 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.45 HD13 ' CG2' ' B' ' 170' ' ' VAL . 93.8 mt -50.73 -42.8 57.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.329 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.48 -48.98 70.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.338 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.51 -46.41 90.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.379 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.9 m -59.81 -53.56 56.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.239 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.2 mtp85 -52.58 -41.43 63.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.311 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -59.73 -62.82 1.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.633 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.536 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.6 pt-20 -59.86 -37.99 80.86 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.694 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.553 ' CD1' HD13 ' B' ' 173' ' ' LEU . 24.2 t80 -54.85 -51.9 64.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.714 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' A' ' 47' ' ' LEU . 11.5 m-70 -64.97 -47.58 77.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.456 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -45.64 -47.48 14.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.079 0.466 . . . . 0.0 109.836 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -55.82 -34.93 65.81 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.424 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 44' ' ' HIS . 6.7 mp -76.85 -28.3 55.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.178 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.9 tttp -72.79 -66.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.628 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.577 HG22 ' N ' ' A' ' 50' ' ' TYR . 10.5 p -88.48 166.16 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.409 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.577 ' N ' HG22 ' A' ' 49' ' ' VAL . 6.9 p90 -151.18 74.48 1.15 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.533 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.617 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.541 ' N ' ' O ' ' B' ' 117' ' ' VAL . 32.0 ttp . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . 0.481 ' NE2' HG22 ' B' ' 114' ' ' THR . 4.7 tp60 -111.97 144.44 41.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.439 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 18.5 pt -146.98 145.86 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.716 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -99.67 153.28 19.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.614 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 16.7 t -136.15 107.01 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.37 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -95.25 133.93 38.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.537 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 34.6 p -96.11 -172.84 2.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.44 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.926 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.5 OUTLIER -84.05 23.27 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.396 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 15.4 p -136.54 8.09 3.08 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.527 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.96 7.36 88.01 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -79.36 114.9 18.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.75 0.31 . . . . 0.0 110.504 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 21.7 m -99.64 144.56 28.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.59 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 1.2 mt -133.59 125.59 50.18 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.449 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . 0.481 HG22 ' NE2' ' B' ' 102' ' ' GLN . 8.3 m -92.53 99.66 12.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.57 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.514 HD12 ' N ' ' B' ' 115' ' ' LEU . 10.8 mp -99.31 145.91 26.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.619 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -102.39 122.47 44.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.169 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . 0.541 ' O ' ' N ' ' B' ' 101' ' ' MET . 14.3 m -147.49 -165.87 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.938 0.399 . . . . 0.0 110.828 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -144.29 149.18 43.87 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.027 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -47.25 -15.79 0.3 Allowed 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.579 2.186 . . . . 0.0 112.642 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.4 p -100.25 13.79 33.11 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 121.064 -0.255 . . . . 0.0 111.205 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -86.65 136.43 33.04 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.424 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . 0.494 ' O ' ' N ' ' B' ' 125' ' ' ASN . 19.7 p -82.71 130.87 35.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.64 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 31.5 mm -40.68 -45.0 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.452 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -55.69 -39.29 70.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.113 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.55 HD22 ' C ' ' B' ' 125' ' ' ASN . 0.1 OUTLIER -63.74 -38.58 91.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.097 179.487 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 27.0 t -64.18 -45.59 95.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.119 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . 0.662 ' HZ1' ' H ' ' B' ' 143' ' ' LEU . 42.2 mttm -56.45 -38.23 71.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.101 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.76 94.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.255 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -60.09 -45.25 93.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.419 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 66.2 mt -62.5 -46.37 96.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.327 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . 0.431 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.5 OUTLIER -55.18 -30.26 59.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.335 179.833 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -78.56 -24.25 45.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.506 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -82.58 -60.4 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.556 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -86.55 -107.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.538 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -171.39 11.91 0.04 OUTLIER Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 27.3 mt -85.79 115.25 60.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.15 154.57 56.63 Favored 'Trans proline' 0 C--N 1.314 -1.242 0 C-N-CA 121.485 1.457 . . . . 0.0 111.63 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -46.71 -64.13 0.27 Allowed 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.454 2.102 . . . . 0.0 111.864 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . 0.406 ' O ' ' OD1' ' B' ' 139' ' ' ASP . 11.0 t0 -44.57 -21.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.691 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.439 ' N ' ' C ' ' B' ' 138' ' ' PRO . 75.9 mt-30 -104.37 33.71 3.4 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.611 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' B' ' 138' ' ' PRO . 70.7 mt-30 -134.34 158.94 42.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.474 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . 0.676 HH12 ' ND2' ' A' ' 28' ' ' ASN . 20.4 ttt180 -170.26 108.32 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.231 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.662 ' H ' ' HZ1' ' B' ' 127' ' ' LYS . 15.2 mt -89.96 130.77 36.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.116 0.484 . . . . 0.0 111.035 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . 0.519 HG22 ' SG ' ' A' ' 31' ' ' CYS . 1.7 mt -125.82 141.93 44.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.149 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . 0.488 ' O ' ' HB3' ' B' ' 146' ' ' ALA . 27.1 t80 -149.35 105.2 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.779 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' B' ' 145' ' ' PHE . . . 69.7 68.97 0.24 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.688 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 39.92 32.36 0.35 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -136.8 118.08 14.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.773 0.321 . . . . 0.0 110.668 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . 0.613 HE22 ' NH2' ' B' ' 142' ' ' ARG . 8.4 tt0 -79.61 127.89 32.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.07 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 12.9 mt -78.19 114.95 17.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.362 . . . . 0.0 110.768 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -57.51 160.77 3.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.697 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -85.75 -29.56 23.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.709 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -95.13 38.17 3.2 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 14.0 mmt85 -139.48 174.3 10.66 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 28.5 p -111.65 172.4 6.92 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.873 0.368 . . . . 0.0 110.793 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . 0.401 ' CD1' HG21 ' B' ' 117' ' ' VAL . 86.5 mt -65.6 -46.84 77.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.609 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . 0.472 ' C ' ' H ' ' B' ' 159' ' ' TYR . 13.0 p -52.94 -32.25 44.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -68.98 10.94 0.23 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.761 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . 0.472 ' H ' ' C ' ' B' ' 157' ' ' SER . 62.0 m-85 -140.67 15.61 2.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.642 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . 0.421 HD22 ' N ' ' B' ' 160' ' ' ASN . 1.6 m-80 53.46 27.49 6.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.702 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 93.0 mt -79.17 96.06 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.43 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -79.95 -157.39 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.652 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 6.7 ptp85 -82.26 160.29 22.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.713 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 55.46 28.37 11.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.645 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 39.6 m -82.67 130.07 35.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.589 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 9.9 m -84.85 114.95 22.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.493 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 11.7 mt -102.34 128.67 48.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.944 0.402 . . . . 0.0 110.699 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 168' ' ' HIS . . . . . 0.656 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.2 OUTLIER -86.89 103.44 15.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.129 179.708 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 54.9 tp -83.01 136.45 34.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.899 0.38 . . . . 0.0 110.855 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 170' ' ' VAL . . . . . 0.45 ' CG2' HD13 ' A' ' 36' ' ' LEU . 2.3 t -139.93 139.57 37.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.326 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.63 HD12 ' N ' ' B' ' 171' ' ' LEU . 8.4 mp -79.08 109.76 13.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.636 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -60.54 110.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.556 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 173' ' ' LEU . . . . . 0.553 HD13 ' CD1' ' A' ' 43' ' ' PHE . 13.2 mt -87.82 47.14 1.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.502 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 174' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' B' ' 173' ' ' LEU . 94.6 mtt180 56.51 158.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.543 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . -178.06 -128.38 1.16 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 201' ' ' MET . . . . . . . . . . . . . 1.3 ptt? . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -92.84 110.21 21.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.574 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 26.3 pt -102.2 154.56 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.651 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -100.46 149.96 23.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.598 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 68.8 t -136.94 106.84 5.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.263 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -91.48 135.18 34.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.605 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 32.8 p -102.48 175.82 5.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.446 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 208' ' ' LEU . . . . . 0.984 ' H ' HD22 ' C' ' 208' ' ' LEU . 0.0 OUTLIER -46.55 -55.41 7.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.236 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 6.4 p -62.0 -8.24 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.585 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 89.18 13.37 62.05 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -70.29 117.65 12.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 110.541 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 10.3 m -90.08 138.97 31.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.652 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 1.8 mt -132.88 125.18 51.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.5 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 20.5 m -89.69 130.89 35.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.284 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 32.8 mt -130.22 123.35 29.97 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.844 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -80.81 79.54 7.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.273 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 217' ' ' VAL . . . . . . . . . . . . . 15.5 m -104.4 176.43 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.965 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 218' ' ' GLU . . . . . 0.549 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 3.3 mm-40 -120.62 176.6 1.77 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.614 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -75.11 -32.89 4.89 Favored 'Trans proline' 0 C--N 1.311 -1.431 0 C-N-CA 122.376 2.05 . . . . 0.0 112.015 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 2.1 p -80.43 -8.37 59.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.517 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 221' ' ' ASP . . . . . 0.549 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 19.6 m-20 -60.72 133.71 56.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.426 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 18.2 p -86.58 140.87 29.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.732 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 21.7 mm -44.48 -51.91 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.466 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -50.08 -38.65 39.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.279 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 225' ' ' ASN . . . . . 0.522 HD22 ' C ' ' C' ' 225' ' ' ASN . 0.2 OUTLIER -61.93 -48.21 81.46 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.435 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 42.8 t -55.18 -46.93 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -53.86 -34.51 59.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.79 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 228' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' C' ' 225' ' ' ASN . . . -64.9 -44.3 90.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.97 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -59.03 -39.78 83.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.076 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 18.2 mt -69.49 -25.4 28.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.103 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -71.6 -33.82 69.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.208 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -76.65 -33.42 58.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.468 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 20.7 mmtm -76.25 -60.9 2.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.456 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -83.85 -90.25 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.513 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 158.54 10.18 0.05 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 236' ' ' ILE . . . . . 0.525 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 30.1 mt -80.33 130.6 64.88 Favored Pre-proline 0 C--N 1.33 -0.263 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -55.38 144.79 70.87 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 121.707 1.605 . . . . 0.0 111.555 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -52.61 -31.66 50.7 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 122.075 1.85 . . . . 0.0 111.775 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 239' ' ' ASP . . . . . 0.462 ' C ' ' H ' ' C' ' 241' ' ' GLN . 16.8 t0 -70.78 -53.79 14.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.664 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -71.76 41.63 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.747 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 241' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 60.5 mt-30 -134.51 162.6 31.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 242' ' ' ARG . . . . . . . . . . . . . 29.5 ttm-85 -170.34 144.59 2.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.164 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 15.3 mt -127.08 138.19 53.16 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.165 0.507 . . . . 0.0 111.066 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 2.1 mt -129.76 121.12 51.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.96 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 245' ' ' PHE . . . . . 0.434 ' CE1' ' OD2' ' A' ' 25' ' ' ASP . 70.4 t80 -108.84 72.04 0.8 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.876 0.37 . . . . 0.0 111.064 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 62.07 87.07 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.004 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 247' ' ' GLY . . . . . 0.715 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 54.92 24.48 34.43 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 23.3 mmtm -129.78 89.71 2.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.69 0.281 . . . . 0.0 110.57 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -71.88 113.6 9.09 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 9.7 mt -76.81 131.14 38.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.944 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -86.78 158.46 19.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.428 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.87 -0.92 29.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.939 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -123.03 40.33 2.03 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 36.9 mmt-85 -139.52 178.31 7.3 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 26.5 p -120.92 157.76 29.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.585 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.47 -12.29 14.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.633 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 257' ' ' SER . . . . . . . . . . . . . 33.0 t -85.04 -40.92 16.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.406 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -49.56 -41.94 42.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.496 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -85.9 -2.47 58.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.604 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 2.0 m120 64.79 38.77 6.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 87.5 mt -81.12 111.34 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.338 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -83.04 -160.7 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -85.68 160.66 19.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.951 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 54.97 26.71 8.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.865 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 1.8 m -83.52 137.8 33.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.39 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 4.3 m -84.48 116.74 23.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.652 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 4.7 mp -108.99 124.53 50.85 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.366 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 268' ' ' HIS . . . . . 0.623 ' ND1' ' N ' ' C' ' 268' ' ' HIS . 0.1 OUTLIER -84.04 113.28 20.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.344 179.816 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 11.5 tp -84.09 142.15 30.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.873 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 1.9 t -147.0 137.28 17.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.13 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 271' ' ' LEU . . . . . 0.942 HD22 ' H ' ' C' ' 271' ' ' LEU . 0.3 OUTLIER -92.69 109.25 20.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.703 -179.669 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -63.3 113.77 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.555 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 273' ' ' LEU . . . . . 0.523 ' O ' ' NH1' ' D' ' 324' ' ' ARG . 13.4 mt -80.32 126.81 31.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.544 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.457 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.84 0.352 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -79.21 92.79 5.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.511 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 14.0 mt -90.64 40.44 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.617 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 25.0 t -90.75 17.02 8.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.666 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -147.87 43.01 1.06 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.59 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 17.5 m95 -112.13 179.07 4.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.604 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -132.42 168.37 18.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.503 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 320' ' ' TYR . . . . . 0.424 ' CD1' ' C ' ' D' ' 320' ' ' TYR . 15.2 t80 -59.17 -47.3 85.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.576 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -58.31 -52.03 67.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.834 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -56.33 -56.26 23.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.851 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 323' ' ' LEU . . . . . 0.551 HD21 ' CD ' ' D' ' 342' ' ' GLU . 14.0 mt -56.79 -56.13 25.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.7 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 324' ' ' ARG . . . . . 0.523 ' NH1' ' O ' ' C' ' 273' ' ' LEU . 6.1 tpt180 -53.04 -46.24 68.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.566 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 325' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' D' ' 329' ' ' THR . 15.7 m-20 -62.6 -48.11 80.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.483 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 326' ' ' THR . . . . . 0.512 ' O ' ' N ' ' D' ' 330' ' ' SER . 6.5 m -53.07 -45.84 68.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.756 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 91.3 mt -75.57 -24.78 17.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 328' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' D' ' 324' ' ' ARG . 2.0 m-80 -95.9 -0.79 50.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.06 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.467 ' N ' ' O ' ' D' ' 325' ' ' ASP . 57.8 p -136.72 -41.79 0.61 Allowed 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 121.048 -0.261 . . . . 0.0 111.349 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 330' ' ' SER . . . . . 0.512 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.5 OUTLIER -76.32 168.58 19.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.177 0.513 . . . . 0.0 111.408 -179.2 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 331' ' ' CYS . . . . . 0.715 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 27.8 p -146.77 88.44 1.76 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.431 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -161.61 100.92 1.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.377 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . 0.402 HD13 HG21 ' D' ' 333' ' ' ILE . 1.9 mt -38.8 -43.63 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.817 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -55.78 -58.97 5.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.442 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 335' ' ' LEU . . . . . 0.484 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 9.7 mt -60.5 -52.65 64.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.158 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 28.3 mt -50.59 -46.65 58.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.536 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.35 78.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.467 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.22 -42.23 96.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.341 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 339' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 69.8 m -58.34 -50.74 72.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.289 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 340' ' ' ARG . . . . . 0.518 ' HE ' HD21 ' C' ' 273' ' ' LEU . 19.0 mtp-105 -61.8 -38.87 89.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.526 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -56.65 -57.41 12.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.684 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 342' ' ' GLU . . . . . 0.551 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.7 pt-20 -63.42 -33.08 74.78 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.618 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -63.21 -40.01 96.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.246 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 344' ' ' HIS . . . . . 0.405 ' CE1' ' NH2' ' D' ' 340' ' ' ARG . 13.4 m170 -70.78 -50.33 36.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.199 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -51.09 -47.65 61.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.429 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 69.1 mtt-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.882 -179.948 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.738 0.304 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -79.75 92.71 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.413 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.3 mt -107.6 45.28 1.01 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.529 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.0 t -84.6 3.51 36.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.62 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -147.46 71.49 1.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.67 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -129.12 165.47 21.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.412 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.87 169.21 9.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.586 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.522 ' OH ' ' NH1' ' A' ' 24' ' ' ARG . 37.5 t80 -65.65 -47.09 76.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.487 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.86 -35.92 79.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.739 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -68.01 -54.96 14.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.697 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.591 HD21 ' CD ' ' A' ' 42' ' ' GLU . 16.2 mt -56.25 -58.39 8.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.613 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.522 ' NH1' ' OH ' ' A' ' 20' ' ' TYR . 6.8 tpt180 -53.22 -53.37 51.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.486 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.472 ' OD1' ' CZ ' ' C' ' 245' ' ' PHE . 46.4 t0 -53.41 -50.77 64.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.47 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.573 ' O ' ' N ' ' A' ' 30' ' ' SER . 86.8 m -52.14 -50.1 62.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.594 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.422 HG23 HD22 ' A' ' 36' ' ' LEU . 96.5 mt -66.75 -23.89 31.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.605 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.51 ' OD1' ' NH1' ' B' ' 142' ' ' ARG . 1.9 m-80 -95.15 -6.53 41.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.062 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 19.6 p -130.12 -5.96 4.4 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.189 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.573 ' N ' ' O ' ' A' ' 26' ' ' THR . 6.3 t -111.3 156.92 20.8 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.002 0.43 . . . . 0.0 111.06 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.42 ' SG ' ' C ' ' B' ' 147' ' ' GLY . 36.5 m -132.67 33.89 3.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.392 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -103.83 100.56 10.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.669 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.406 HG21 HD13 ' A' ' 33' ' ' ILE . 6.4 mt -43.7 -35.53 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.55 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -61.52 -58.99 5.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.279 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.488 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 11.4 mt -56.77 -44.32 81.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.928 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.422 HD22 HG23 ' A' ' 27' ' ' ILE . 96.2 mt -54.46 -42.67 70.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.469 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.27 -49.11 70.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.567 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.49 92.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.43 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.488 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 78.3 m -57.19 -53.61 56.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.219 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.504 HH21 HD22 ' B' ' 171' ' ' LEU . 16.1 mtp-105 -54.56 -45.45 73.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.316 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -53.22 -62.69 1.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.745 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.591 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.8 pt-20 -61.07 -42.05 97.78 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.506 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.533 ' CG ' HD13 ' B' ' 173' ' ' LEU . 16.4 t80 -52.57 -43.0 64.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.915 0.388 . . . . 0.0 110.145 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -68.84 -45.25 71.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.313 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 49' ' ' VAL . 29.2 mtt85 -49.52 -52.74 27.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.369 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' A' ' 50' ' ' TYR . 1.8 mpt_? -45.94 -34.11 3.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.241 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.1 mt -85.88 -60.29 2.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.474 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -46.61 -46.14 19.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.59 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.531 HG22 ' N ' ' A' ' 50' ' ' TYR . 7.6 p -144.09 160.06 15.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.614 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.531 ' N ' HG22 ' A' ' 49' ' ' VAL . 47.7 t80 55.45 107.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.564 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.465 ' ND1' ' OXT' ' A' ' 51' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.595 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -96.36 120.0 35.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.65 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 17.5 pt -109.33 147.54 13.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.641 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -99.71 141.75 32.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.647 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 94.7 t -127.49 113.73 33.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.412 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -92.74 136.83 32.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.769 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 38.1 p -90.83 -150.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.374 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.907 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.4 OUTLIER -87.2 -52.91 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.495 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . 0.42 ' H ' HG23 ' B' ' 109' ' ' THR . 19.3 p -56.26 -47.56 78.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.507 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 142.66 5.69 0.77 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -72.29 133.94 45.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.678 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.9 m -108.36 145.78 33.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.464 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 3.8 mt -130.65 128.6 63.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.642 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 21.9 m -97.55 115.18 27.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.301 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 33.1 mt -121.29 134.93 55.17 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.873 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -80.81 127.44 32.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.142 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 15.7 m -147.7 179.77 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.371 . . . . 0.0 110.918 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.532 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 36.0 mt-10 -135.97 148.85 66.61 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.211 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -48.56 -7.01 0.05 OUTLIER 'Trans proline' 0 C--N 1.31 -1.476 0 C-N-CA 122.626 2.218 . . . . 0.0 112.521 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . 0.489 ' H ' ' C ' ' B' ' 118' ' ' GLU . 2.6 p -102.48 -19.49 14.89 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.992 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . 0.532 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 9.2 m-20 -53.58 138.48 34.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.981 0.419 . . . . 0.0 110.74 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . 0.446 ' O ' ' N ' ' B' ' 125' ' ' ASN . 17.8 p -90.4 134.02 34.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.538 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 27.3 mm -40.96 -45.34 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.549 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -55.46 -41.95 73.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.232 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.712 HD22 ' NZ ' ' B' ' 129' ' ' LYS . 19.1 t30 -61.37 -37.49 83.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.159 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 27.2 t -64.56 -52.44 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.99 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -49.75 -38.62 34.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.085 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.29 -45.25 88.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.218 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.712 ' NZ ' HD22 ' B' ' 125' ' ' ASN . 42.9 mttp -55.92 -41.19 74.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.141 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 6.1 mt -66.75 -37.53 79.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.245 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -62.01 -25.31 67.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.344 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -84.52 -31.72 24.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.687 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -78.76 -65.39 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.628 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -80.47 -105.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.671 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -176.52 16.44 0.04 OUTLIER Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.517 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 23.5 mt -93.49 112.0 54.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -63.46 154.56 67.8 Favored 'Trans proline' 0 C--N 1.313 -1.293 0 C-N-CA 121.59 1.527 . . . . 0.0 111.794 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.53 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -46.84 -66.05 0.16 Allowed 'Trans proline' 0 C--N 1.31 -1.499 0 C-N-CA 122.593 2.195 . . . . 0.0 112.016 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -42.55 -20.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.696 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' B' ' 138' ' ' PRO . 27.6 mt-30 -110.88 35.33 3.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.542 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' B' ' 138' ' ' PRO . 54.2 mt-30 -134.34 168.03 19.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.501 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . 0.695 HH21 ' NE2' ' B' ' 149' ' ' GLN . 16.2 ttt85 -170.21 130.18 0.93 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.179 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 16.3 mt -112.39 133.54 54.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.046 0.451 . . . . 0.0 110.954 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.6 mt -127.16 134.18 66.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.238 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . 0.495 ' O ' ' HB3' ' B' ' 146' ' ' ALA . 86.1 t80 -158.52 144.96 17.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.503 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' B' ' 145' ' ' PHE . . . 69.6 19.31 7.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . 0.42 ' C ' ' SG ' ' A' ' 31' ' ' CYS . . . 76.66 21.41 74.8 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -145.13 152.09 39.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.748 0.309 . . . . 0.0 110.753 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . 0.695 ' NE2' HH21 ' B' ' 142' ' ' ARG . 23.3 tt0 -80.07 142.74 34.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.328 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 15.8 mt -91.42 141.69 28.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.831 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -79.1 160.9 26.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.44 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.85 -24.39 26.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -102.91 41.74 2.06 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -139.72 168.71 19.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.732 0.301 . . . . 0.0 110.355 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 6.2 p -108.79 161.84 14.74 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.723 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 57.0 mt -59.32 -31.84 69.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . 0.488 ' C ' ' H ' ' B' ' 159' ' ' TYR . 6.9 t -65.76 -32.23 73.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.991 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -70.62 14.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.858 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . 0.488 ' H ' ' C ' ' B' ' 157' ' ' SER . 60.6 m-85 -140.65 7.66 2.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.603 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 59.61 27.35 16.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.566 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 95.8 mt -77.23 107.49 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.509 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -86.45 -169.71 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.616 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -73.44 160.36 31.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.804 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 56.66 29.24 15.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.696 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 33.0 m -81.9 129.22 34.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.432 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 3.9 m -91.99 106.58 18.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.68 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 2.1 mp -98.31 153.43 18.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.627 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 168' ' ' HIS . . . . . 0.653 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -98.77 123.59 43.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.054 179.778 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 21.3 tp -101.48 118.51 37.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.442 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 170' ' ' VAL . . . . . 0.413 ' CG2' HD13 ' A' ' 36' ' ' LEU . 1.7 t -123.92 141.0 45.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.33 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.635 HD12 ' N ' ' B' ' 171' ' ' LEU . 8.3 mp -82.31 113.8 20.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.637 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -62.96 102.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.53 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 173' ' ' LEU . . . . . 0.533 HD13 ' CG ' ' A' ' 43' ' ' PHE . 18.3 mt -76.62 174.65 10.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.451 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 31.0 mtm180 -152.78 138.91 18.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.525 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . -165.67 9.75 0.07 OUTLIER Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.942 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 201' ' ' MET . . . . . 0.527 ' N ' ' O ' ' C' ' 217' ' ' VAL . 28.9 ttp . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 202' ' ' GLN . . . . . 0.411 ' N ' ' CG ' ' C' ' 201' ' ' MET . 62.7 mt-30 -129.96 129.91 44.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.458 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 6.4 pt -136.12 151.19 28.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.76 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -98.09 153.89 18.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.369 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 77.5 t -137.41 102.47 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.233 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 206' ' ' LYS . . . . . 0.502 ' NZ ' ' OG1' ' C' ' 212' ' ' THR . 16.6 mttp -86.07 135.27 33.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.551 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 40.6 p -101.54 -172.05 2.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.329 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 208' ' ' LEU . . . . . 0.828 HD22 ' N ' ' C' ' 208' ' ' LEU . 2.1 mm? -75.4 -28.72 59.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.256 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 9.8 p -82.11 4.08 24.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.53 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 78.66 28.01 55.85 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -93.53 115.71 28.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.74 0.305 . . . . 0.0 110.651 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 212' ' ' THR . . . . . 0.502 ' OG1' ' NZ ' ' C' ' 206' ' ' LYS . 17.1 m -95.61 107.83 20.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.461 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 1.4 mt -99.65 125.17 53.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.67 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 4.1 m -93.38 107.14 19.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.088 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 19.6 mt -110.61 143.76 40.53 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.959 0.409 . . . . 0.0 111.093 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 216' ' ' GLU . . . . . 0.457 ' N ' ' CD ' ' C' ' 216' ' ' GLU . 5.3 mp0 -96.71 126.75 42.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.173 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 217' ' ' VAL . . . . . 0.527 ' O ' ' N ' ' C' ' 201' ' ' MET . 16.5 m -147.61 -166.71 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.73 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 218' ' ' GLU . . . . . 0.521 ' OE2' ' N ' ' C' ' 201' ' ' MET . 36.5 mm-40 -143.9 148.95 44.36 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.064 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -47.83 -34.89 22.96 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.451 2.101 . . . . 0.0 112.434 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.05 13.92 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.232 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 221' ' ' ASP . . . . . 0.482 ' OD2' ' N ' ' C' ' 218' ' ' GLU . 34.7 m-20 -89.9 135.75 33.45 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.91 0.385 . . . . 0.0 110.324 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 4.2 p -83.2 138.84 33.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.999 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 29.9 mm -46.59 -38.7 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.282 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -58.68 -44.55 90.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.372 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 225' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -61.23 -37.16 82.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.057 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 47.6 t -63.91 -53.81 39.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.138 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 29.3 mttp -49.29 -40.99 36.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.181 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -61.39 -44.86 96.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.298 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -57.04 -43.15 81.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.31 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 5.0 mt -61.85 -51.25 74.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.198 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -51.23 -30.89 18.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.225 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 232' ' ' ASP . . . . . 0.415 ' O ' ' OD1' ' C' ' 232' ' ' ASP . 61.7 t0 -75.66 -27.02 58.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.57 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt -82.14 -64.08 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.498 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -86.97 -109.28 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.506 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -169.12 12.29 0.05 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 236' ' ' ILE . . . . . 0.509 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 43.2 mt -81.3 114.92 53.05 Favored Pre-proline 0 C--N 1.329 -0.3 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -64.42 150.06 88.94 Favored 'Trans proline' 0 C--N 1.314 -1.271 0 C-N-CA 121.508 1.472 . . . . 0.0 111.573 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 238' ' ' PRO . . . . . 0.477 ' O ' ' N ' ' C' ' 240' ' ' GLN . 2.7 Cg_endo -48.35 -65.89 0.15 Allowed 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.395 2.063 . . . . 0.0 111.937 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.23 -21.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 240' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' C' ' 238' ' ' PRO . 11.6 mt-30 -105.52 37.01 2.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.738 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 241' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 76.9 mt-30 -134.54 154.13 51.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.054 0.454 . . . . 0.0 110.693 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 242' ' ' ARG . . . . . 0.688 ' NH1' HD21 ' D' ' 328' ' ' ASN . 11.5 mtt180 -155.1 103.6 2.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.808 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 243' ' ' LEU . . . . . 0.47 HD22 HD23 ' C' ' 267' ' ' LEU . 54.6 mt -84.65 126.14 33.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.6 mt -131.12 117.02 35.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.288 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 245' ' ' PHE . . . . . 0.542 ' O ' ' HB3' ' C' ' 246' ' ' ALA . 52.0 t80 -109.62 77.83 1.09 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.68 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 246' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' C' ' 245' ' ' PHE . . . 72.09 89.59 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.769 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 247' ' ' GLY . . . . . 0.492 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 38.47 31.0 0.1 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 248' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' C' ' 246' ' ' ALA . 26.3 mmtm -133.74 100.92 4.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.785 0.326 . . . . 0.0 110.633 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 249' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' C' ' 250' ' ' LEU . 19.6 tm0? -76.22 125.01 28.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.114 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 250' ' ' LEU . . . . . 0.524 ' O ' ' NE2' ' C' ' 249' ' ' GLN . 8.8 mt -86.55 127.41 34.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.773 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -73.52 160.51 31.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.621 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.12 -18.12 47.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.78 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -105.22 38.93 3.04 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.331 -0.707 . . . . 0.0 111.331 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 28.2 mmt-85 -139.64 172.01 13.41 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 255' ' ' THR . . . . . 0.41 ' OG1' ' OD1' ' C' ' 258' ' ' ASP . 27.7 p -114.7 158.52 21.68 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.678 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 60.8 mt -57.06 -28.67 62.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.672 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 257' ' ' SER . . . . . . . . . . . . . 25.8 p -66.74 -41.34 88.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.733 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 258' ' ' ASP . . . . . 0.41 ' OD1' ' OG1' ' C' ' 255' ' ' THR . 1.0 OUTLIER -52.37 -29.36 23.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.663 -179.843 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -100.42 16.92 22.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.683 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 260' ' ' ASN . . . . . 0.549 ' C ' HD22 ' C' ' 260' ' ' ASN . 0.2 OUTLIER 44.74 41.5 5.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 88.6 mt -84.31 109.44 17.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.383 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -85.24 -157.82 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.797 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -85.6 160.06 19.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 59.73 30.22 19.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.751 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 8.9 m -87.22 132.83 33.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.39 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 5.6 m -86.36 105.58 16.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.636 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 267' ' ' LEU . . . . . 0.47 HD23 HD22 ' C' ' 243' ' ' LEU . 5.5 mp -94.05 121.18 35.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.393 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 268' ' ' HIS . . . . . 0.638 ' ND1' ' N ' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -83.83 105.9 15.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.476 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 44.9 tp -86.26 133.48 33.82 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.612 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 270' ' ' VAL . . . . . 0.459 HG22 HD13 ' D' ' 336' ' ' LEU . 3.1 t -129.27 163.94 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.58 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 271' ' ' LEU . . . . . 0.755 ' N ' HD12 ' C' ' 271' ' ' LEU . 6.2 mp -97.05 114.8 26.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.528 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -82.88 118.0 23.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.372 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 273' ' ' LEU . . . . . 0.656 ' HG ' HH12 ' D' ' 340' ' ' ARG . 1.2 mt -91.04 154.31 19.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.553 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 274' ' ' ARG . . . . . 0.439 ' CZ ' ' CB ' ' C' ' 274' ' ' ARG . 8.9 mtp-105 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.467 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 . . . . . 0 N--CA 1.461 0.112 0 CA-C-O 120.825 0.345 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -84.77 92.76 8.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.506 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 315' ' ' LEU . . . . . 0.419 HD13 ' OE1' ' D' ' 342' ' ' GLU . 14.8 mt -105.35 45.98 0.94 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.469 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 8.6 t -79.7 -13.01 59.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -146.81 88.48 1.75 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.838 0.351 . . . . 0.0 110.798 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -131.62 168.23 18.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.308 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -110.75 165.92 11.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.729 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 320' ' ' TYR . . . . . 0.479 ' CD1' ' C ' ' D' ' 320' ' ' TYR . 14.3 t80 -63.16 -48.73 77.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.591 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.22 94.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.778 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.67 -53.79 53.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.766 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 323' ' ' LEU . . . . . 0.577 HD21 ' CD ' ' D' ' 342' ' ' GLU . 15.0 mt -59.25 -52.66 64.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.566 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 324' ' ' ARG . . . . . 0.67 HH21 HH22 ' C' ' 242' ' ' ARG . 6.3 tpt180 -59.16 -52.13 67.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.672 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 325' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' D' ' 329' ' ' THR . 14.1 t70 -60.17 -47.13 87.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.729 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 326' ' ' THR . . . . . 0.468 ' O ' ' CB ' ' D' ' 330' ' ' SER . 64.5 m -56.07 -41.83 75.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.666 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 327' ' ' ILE . . . . . 0.568 ' CD1' ' NH2' ' D' ' 340' ' ' ARG . 87.3 mt -73.74 -35.51 43.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.595 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 328' ' ' ASN . . . . . 0.688 HD21 ' NH1' ' C' ' 242' ' ' ARG . 1.5 m-80 -81.09 -22.29 39.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.964 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.476 ' N ' ' O ' ' D' ' 325' ' ' ASP . 72.8 p -103.03 -46.98 4.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.843 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 330' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' D' ' 326' ' ' THR . 0.9 OUTLIER -79.74 167.57 20.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.067 0.461 . . . . 0.0 110.861 -179.631 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 331' ' ' CYS . . . . . 0.492 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 6.5 p -138.24 15.27 2.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.051 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 332' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' D' ' 333' ' ' ILE . 20.3 m-20 -74.02 90.96 2.01 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.588 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . 0.697 ' HA ' HD12 ' D' ' 336' ' ' LEU . 3.3 mt -38.44 -40.41 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.778 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -56.38 -58.98 5.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.129 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 335' ' ' LEU . . . . . 0.451 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 9.0 mt -57.06 -46.3 82.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.824 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 336' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' D' ' 333' ' ' ILE . 66.3 mt -50.71 -48.54 58.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.139 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -59.72 -49.5 77.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.09 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -60.44 -41.22 93.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.101 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 339' ' ' CYS . . . . . 0.451 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 63.8 m -62.99 -54.07 44.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.2 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 340' ' ' ARG . . . . . 0.656 HH12 ' HG ' ' C' ' 273' ' ' LEU . 0.0 OUTLIER -51.68 -40.21 59.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.355 -0.384 . . . . 0.0 109.966 179.584 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -61.33 -55.13 35.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 342' ' ' GLU . . . . . 0.577 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.1 pt-20 -66.86 -37.04 83.68 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.898 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.08 -48.29 80.85 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.409 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -63.85 -54.46 34.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.209 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -45.91 -56.51 5.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.397 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 68.9 mtt-85 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.614 -179.868 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 . . . . . 0 N--CA 1.46 0.053 0 CA-C-O 120.748 0.309 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -78.61 92.94 4.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.442 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.7 mt -93.18 44.59 1.15 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.575 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.0 t -84.81 -10.5 57.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.819 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -147.46 84.01 1.55 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.739 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -129.93 164.21 24.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.287 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -105.36 165.15 11.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.561 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -66.0 -48.79 70.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.519 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.61 -33.68 74.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.714 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -68.34 -55.61 11.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.681 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.53 HD21 ' CD ' ' A' ' 42' ' ' GLU . 14.3 mt -55.29 -56.94 14.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.446 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.62 ' NH1' HE22 ' C' ' 262' ' ' GLN . 0.0 OUTLIER -53.01 -53.34 51.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.392 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.533 ' OD2' ' CZ ' ' C' ' 245' ' ' PHE . 1.5 t70 -53.65 -50.96 64.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.393 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.58 ' O ' ' N ' ' A' ' 30' ' ' SER . 19.7 m -50.87 -51.62 49.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.758 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 53.2 mt -65.04 -27.15 41.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.801 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.526 ' CG ' HH21 ' B' ' 142' ' ' ARG . 1.3 m-80 -98.22 -0.26 44.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.121 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.519 ' N ' ' O ' ' A' ' 25' ' ' ASP . 73.1 p -133.18 -6.24 3.02 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.141 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.58 ' N ' ' O ' ' A' ' 26' ' ' THR . 7.6 t -109.53 169.69 8.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.007 0.432 . . . . 0.0 111.153 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 85.8 m -144.28 39.36 1.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.401 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -115.79 104.4 11.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.733 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.445 ' HA ' HD12 ' A' ' 36' ' ' LEU . 5.6 mt -43.16 -36.04 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.449 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -62.0 -53.85 49.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.113 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.486 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 10.1 mt -64.34 -43.22 95.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.036 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 33' ' ' ILE . 17.0 mt -59.94 -47.21 86.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.163 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.99 -49.07 73.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.476 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.408 ' O ' ' HG2' ' A' ' 41' ' ' GLU . . . -61.5 -52.41 64.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.372 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 98.3 m -51.8 -43.97 63.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.386 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.4 mtp-105 -68.59 -33.12 73.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.446 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.445 ' CG ' ' N ' ' A' ' 42' ' ' GLU . 2.6 pt-20 -66.48 -45.43 79.68 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.615 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.53 ' CD ' HD21 ' A' ' 23' ' ' LEU . 4.0 pt-20 -71.81 -35.9 70.1 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.299 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -61.49 -44.69 96.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.926 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -66.73 -54.02 27.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.191 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -45.91 -55.82 6.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.387 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.7 mtp85 -45.96 -38.21 7.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.637 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.5 mt -77.87 -35.5 50.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.495 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -71.78 -60.44 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.541 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.489 ' O ' HG13 ' A' ' 49' ' ' VAL . 11.4 p -45.21 127.43 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.621 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.515 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 32.2 t80 -155.38 72.07 0.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.495 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.515 ' CG ' ' O ' ' A' ' 50' ' ' TYR . 84.9 m-70 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.6 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 13.4 ttp . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -82.13 134.54 35.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.536 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 12.5 pt -134.9 142.99 38.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.749 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -95.55 140.09 30.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.594 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 18.0 t -122.81 106.8 18.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.268 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 7.8 tptp -81.15 134.68 35.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.561 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 23.9 p -101.35 -167.51 1.43 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.459 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.926 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.6 OUTLIER -82.7 -34.55 27.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.443 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 36.2 p -77.99 5.03 10.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.612 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 83.23 2.96 90.4 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -79.41 124.93 28.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.554 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 8.4 m -97.34 152.65 18.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.56 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 2.1 mt -136.83 126.87 39.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.536 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 5.3 m -94.45 124.59 38.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.297 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 31.1 mt -131.17 134.97 47.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.827 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -85.79 131.92 34.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.236 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 34.9 m -150.98 -164.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.923 0.392 . . . . 0.0 110.822 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.507 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 6.1 mt-10 -144.62 146.74 33.33 Favored Pre-proline 0 CA--C 1.531 0.237 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.107 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -48.11 -10.24 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.447 2.098 . . . . 0.0 112.366 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . 0.452 ' N ' ' O ' ' B' ' 118' ' ' GLU . 1.9 p -97.17 -22.96 16.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.719 0.295 . . . . 0.0 110.834 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . 0.507 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 1.3 m-20 -48.86 138.08 11.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.931 0.396 . . . . 0.0 110.711 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . 0.479 ' O ' ' N ' ' B' ' 125' ' ' ASN . 18.4 p -89.89 135.9 33.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.631 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 27.8 mm -41.44 -44.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.484 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -57.42 -38.4 74.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.228 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.496 HD22 ' C ' ' B' ' 125' ' ' ASN . 0.1 OUTLIER -64.17 -40.15 95.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.156 179.609 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 74.9 t -63.13 -50.61 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.978 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . 0.444 ' NZ ' ' C ' ' B' ' 141' ' ' GLN . 46.3 mttm -51.38 -41.19 60.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.189 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.38 -43.2 99.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.274 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -59.09 -39.93 83.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.244 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 8.3 mt -67.25 -32.34 57.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.174 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -67.32 -31.4 71.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.338 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' B' ' 132' ' ' ASP . 3.5 m-20 -78.92 -26.29 43.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.755 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -83.77 -64.26 1.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.667 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -83.26 -107.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.635 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -174.3 22.86 0.06 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.761 -0.935 . . . . 0.0 110.761 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.522 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 24.1 mt -101.25 107.98 52.92 Favored Pre-proline 0 C--N 1.33 -0.282 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -62.94 152.76 77.51 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 121.674 1.583 . . . . 0.0 111.853 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.509 ' C ' ' H ' ' B' ' 140' ' ' GLN . 2.8 Cg_endo -46.93 -57.57 2.22 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.571 2.181 . . . . 0.0 111.851 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -51.17 -8.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.506 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.509 ' H ' ' C ' ' B' ' 138' ' ' PRO . 54.8 mt-30 -123.9 32.28 5.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.494 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 59.4 mt-30 -129.86 168.6 16.35 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.376 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . 0.526 HH21 ' CG ' ' A' ' 28' ' ' ASN . 36.6 ttt85 -170.35 109.01 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.35 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 14.2 mt -93.99 132.01 38.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.771 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.6 mt -123.46 141.28 44.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.292 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' B' ' 148' ' ' LYS . 36.7 t80 -155.53 159.93 40.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.616 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 43.26 27.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 68.33 35.38 82.24 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' B' ' 145' ' ' PHE . 80.6 mttt -148.09 139.7 23.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.782 0.325 . . . . 0.0 110.685 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' B' ' 150' ' ' LEU . 10.5 tm0? -75.97 127.51 33.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.168 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.526 ' O ' ' NE2' ' B' ' 149' ' ' GLN . 15.0 mt -81.26 133.83 35.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 0.0 110.907 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -78.36 163.4 25.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.69 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.01 -28.5 32.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.975 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -95.34 43.27 2.24 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -139.67 173.59 11.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.686 0.279 . . . . 0.0 110.335 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 29.8 p -118.14 162.04 18.87 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.719 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.21 -15.68 48.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.684 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 2.8 t -81.03 -42.39 21.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.726 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -48.89 -42.38 36.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.705 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -87.12 0.88 54.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.6 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . 0.516 ' O ' ' NE2' ' B' ' 162' ' ' GLN . 21.8 m-20 60.81 41.72 14.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.677 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 76.7 mt -82.72 101.84 7.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.395 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' B' ' 160' ' ' ASN . 4.4 mp0 -78.67 -172.0 2.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.667 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -72.03 161.42 30.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.793 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 57.51 33.9 23.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.969 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 65.4 m -90.49 136.27 33.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.489 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 9.1 m -93.47 103.63 15.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.605 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 11.2 mt -91.82 126.49 36.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.471 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 168' ' ' HIS . . . . . 0.665 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -81.89 112.34 18.91 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.553 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . 0.799 HD13 ' C ' ' B' ' 169' ' ' LEU . 2.6 tm? -88.7 132.32 34.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.019 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 170' ' ' VAL . . . . . 0.693 ' N ' HD13 ' B' ' 169' ' ' LEU . 2.1 t -143.78 138.16 25.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.713 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.6 HD12 ' N ' ' B' ' 171' ' ' LEU . 7.8 mp -77.24 158.52 30.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.531 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -109.56 70.94 0.75 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.262 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 13.9 mt -40.36 104.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.748 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 174' ' ' ARG . . . . . 0.473 ' CZ ' ' CB ' ' B' ' 174' ' ' ARG . 11.6 ttm105 -58.9 152.87 18.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 175' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' B' ' 176' ' ' GLY . . . -151.15 -47.35 0.02 OUTLIER Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 176' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' B' ' 175' ' ' GLY . . . . . . . . 0 CA--C 1.526 0.722 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 201' ' ' MET . . . . . 0.54 ' N ' ' O ' ' C' ' 217' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 202' ' ' GLN . . . . . 0.417 ' O ' ' OE1' ' C' ' 264' ' ' GLU . 21.3 mt-30 -118.09 112.41 20.17 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.436 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 11.8 pt -100.54 161.26 3.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.825 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -105.05 154.95 19.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.13 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 65.4 t -139.8 108.45 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.219 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 50.3 mttm -97.33 133.17 42.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.985 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 30.3 p -93.96 -148.51 0.26 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.362 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 208' ' ' LEU . . . . . 0.932 ' H ' HD22 ' C' ' 208' ' ' LEU . 0.5 OUTLIER -83.46 -47.62 11.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.313 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 5.9 p -74.03 20.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.511 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 210' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' C' ' 208' ' ' LEU . . . 65.47 22.15 69.29 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -76.97 109.83 11.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.725 0.298 . . . . 0.0 110.594 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 9.3 m -90.73 145.53 24.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.649 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 213' ' ' ILE . . . . . 0.404 HG21 HD13 ' C' ' 213' ' ' ILE . 2.7 mt -137.58 128.06 37.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.661 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 5.4 m -91.41 117.39 29.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.08 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 23.9 mt -119.36 131.09 55.64 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.893 0.378 . . . . 0.0 111.098 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -84.13 115.63 22.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.913 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 217' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' C' ' 201' ' ' MET . 4.6 m -145.76 177.59 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.854 0.359 . . . . 0.0 111.165 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 218' ' ' GLU . . . . . 0.591 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 62.8 mt-10 -131.26 152.76 81.13 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.955 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.19 -25.89 2.1 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.714 2.276 . . . . 0.0 112.613 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 2.4 p -81.68 -26.14 34.93 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.136 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 221' ' ' ASP . . . . . 0.591 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 1.1 m-20 -44.96 137.8 3.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.962 0.41 . . . . 0.0 110.825 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 222' ' ' THR . . . . . 0.461 ' O ' ' N ' ' C' ' 225' ' ' ASN . 18.2 p -91.25 136.5 33.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.463 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 20.9 mm -41.54 -48.66 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.523 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -53.78 -36.56 62.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.275 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 225' ' ' ASN . . . . . 0.538 HD22 ' C ' ' C' ' 225' ' ' ASN . 0.2 OUTLIER -65.23 -41.01 94.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.12 179.594 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 13.7 t -63.09 -44.51 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.088 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -56.93 -39.08 73.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.123 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.71 -45.01 91.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.248 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 229' ' ' LYS . . . . . 0.474 ' NZ ' HD21 ' C' ' 225' ' ' ASN . 43.4 mttp -56.74 -51.33 69.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.269 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 73.3 mt -56.16 -45.12 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.223 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.75 -26.14 44.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.083 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -76.66 -39.0 53.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.336 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -72.18 -63.67 1.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.283 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -80.89 -115.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.589 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -167.54 10.87 0.06 OUTLIER Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 236' ' ' ILE . . . . . 0.498 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 40.4 mt -79.55 116.24 59.26 Favored Pre-proline 0 C--N 1.329 -0.324 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.26 152.12 74.38 Favored 'Trans proline' 0 C--N 1.314 -1.263 0 C-N-CA 121.468 1.445 . . . . 0.0 111.478 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -47.49 -60.89 0.71 Allowed 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.427 2.085 . . . . 0.0 111.97 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 239' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' C' ' 239' ' ' ASP . 9.9 t70 -47.36 -22.37 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.796 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -104.48 34.04 3.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.764 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 241' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 67.7 mt-30 -134.51 144.69 48.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.583 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 242' ' ' ARG . . . . . 0.574 ' NH2' ' NH1' ' C' ' 272' ' ' ARG . 19.5 ttm180 -150.47 122.98 8.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.283 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 243' ' ' LEU . . . . . 0.564 HD22 HD23 ' C' ' 267' ' ' LEU . 76.7 mt -101.0 130.55 47.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.074 0.464 . . . . 0.0 110.997 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.6 mt -128.62 126.28 64.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.208 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 245' ' ' PHE . . . . . 0.533 ' CZ ' ' OD2' ' A' ' 25' ' ' ASP . 63.2 t80 -110.89 74.19 0.86 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.654 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 246' ' ' ALA . . . . . 0.483 ' C ' ' H ' ' C' ' 248' ' ' LYS . . . 66.04 69.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.847 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 247' ' ' GLY . . . . . 0.563 ' H ' ' HB3' ' D' ' 331' ' ' CYS . . . 73.55 -23.07 1.02 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 248' ' ' LYS . . . . . 0.483 ' H ' ' C ' ' C' ' 246' ' ' ALA . 87.7 mttt -81.99 90.74 6.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.737 0.303 . . . . 0.0 110.62 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 249' ' ' GLN . . . . . 0.529 HE21 ' C ' ' C' ' 249' ' ' GLN . 0.0 OUTLIER -68.25 128.35 36.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.063 179.656 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 8.5 mt -89.29 134.21 34.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 0.0 110.845 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -82.6 159.97 22.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.544 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.72 -18.63 58.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.968 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -107.04 43.09 1.76 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 21.7 mmt-85 -139.81 175.43 9.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.634 0.254 . . . . 0.0 110.344 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 255' ' ' THR . . . . . 0.411 ' C ' ' H ' ' C' ' 257' ' ' SER . 26.6 p -119.43 163.37 17.34 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.736 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 256' ' ' LEU . . . . . 0.419 ' CD1' HG21 ' C' ' 217' ' ' VAL . 95.8 mt -66.21 1.18 1.64 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.689 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 257' ' ' SER . . . . . 0.492 ' C ' ' H ' ' C' ' 259' ' ' TYR . 29.6 t -96.41 -33.49 11.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.623 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.75 17.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.595 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 259' ' ' TYR . . . . . 0.492 ' H ' ' C ' ' C' ' 257' ' ' SER . 68.9 m-85 -140.63 2.77 1.83 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.55 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 260' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' C' ' 260' ' ' ASN . 0.4 OUTLIER 62.03 24.99 14.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.786 179.842 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 86.8 mt -75.92 111.32 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.362 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 262' ' ' GLN . . . . . 0.62 HE22 ' NH1' ' A' ' 24' ' ' ARG . 30.0 mt-30 -86.65 -157.45 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.705 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -85.75 157.97 20.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.735 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 264' ' ' GLU . . . . . 0.417 ' OE1' ' O ' ' C' ' 202' ' ' GLN . 8.1 mm-40 56.66 25.75 10.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.846 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 16.0 m -79.01 136.83 37.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.386 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 5.0 m -83.42 108.52 16.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.707 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 267' ' ' LEU . . . . . 0.564 HD23 HD22 ' C' ' 243' ' ' LEU . 1.3 mp -98.39 125.23 43.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.262 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 268' ' ' HIS . . . . . 0.642 ' ND1' ' N ' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -85.7 109.93 18.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.473 -179.873 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 62.8 tp -87.8 143.97 26.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.714 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 270' ' ' VAL . . . . . 0.48 HG22 HD13 ' D' ' 336' ' ' LEU . 2.0 t -145.27 137.59 20.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.361 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 271' ' ' LEU . . . . . 0.762 ' N ' HD12 ' C' ' 271' ' ' LEU . 6.4 mp -85.87 112.46 21.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.498 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 272' ' ' ARG . . . . . 0.574 ' NH1' ' NH2' ' C' ' 242' ' ' ARG . 40.6 mtp180 -62.97 120.13 10.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.619 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 273' ' ' LEU . . . . . 0.4 HD13 ' CD1' ' D' ' 343' ' ' PHE . 12.4 mt -89.9 74.77 7.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.508 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 22.2 ttt85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.568 179.932 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.794 0.331 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -80.85 92.86 6.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.621 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 15.8 mt -99.57 43.66 1.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.532 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 99.3 p -84.42 -0.16 51.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.668 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -138.77 69.79 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.661 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -130.03 175.23 9.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.384 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 319' ' ' LYS . . . . . 0.515 ' N ' ' OE1' ' D' ' 322' ' ' GLU . 33.3 mttp -128.19 170.09 13.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.756 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 320' ' ' TYR . . . . . 0.489 ' CD1' ' C ' ' D' ' 320' ' ' TYR . 8.0 t80 -62.01 -46.67 88.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.541 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -61.82 -48.01 82.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 322' ' ' GLU . . . . . 0.515 ' OE1' ' N ' ' D' ' 319' ' ' LYS . 73.3 mt-10 -56.44 -55.92 27.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 323' ' ' LEU . . . . . 0.568 HD21 ' CD ' ' D' ' 342' ' ' GLU . 15.3 mt -59.02 -59.64 5.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.65 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 324' ' ' ARG . . . . . 0.69 ' NH1' HD21 ' D' ' 328' ' ' ASN . 16.2 tpt85 -53.09 -49.62 66.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.699 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 325' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' D' ' 329' ' ' THR . 32.0 t70 -62.03 -47.17 85.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.68 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 326' ' ' THR . . . . . 0.536 ' O ' ' N ' ' D' ' 330' ' ' SER . 54.5 m -55.54 -47.18 76.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.404 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 327' ' ' ILE . . . . . 0.473 HG23 HD22 ' D' ' 336' ' ' LEU . 85.2 mt -67.04 -31.98 55.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.43 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 328' ' ' ASN . . . . . 0.69 HD21 ' NH1' ' D' ' 324' ' ' ARG . 1.0 OUTLIER -88.31 -14.05 39.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 -179.544 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.518 ' N ' ' O ' ' D' ' 325' ' ' ASP . 57.4 p -113.77 -13.42 12.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.93 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 330' ' ' SER . . . . . 0.536 ' N ' ' O ' ' D' ' 326' ' ' THR . 4.4 t -112.41 -176.58 2.95 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.043 0.449 . . . . 0.0 110.877 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 331' ' ' CYS . . . . . 0.563 ' HB3' ' H ' ' C' ' 247' ' ' GLY . 9.7 p -152.02 7.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.172 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -69.97 92.34 0.72 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.412 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . 0.697 ' HA ' HD12 ' D' ' 336' ' ' LEU . 2.1 mt -38.55 -41.86 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.668 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -54.76 -54.3 43.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.112 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 335' ' ' LEU . . . . . 0.45 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 8.5 mt -61.39 -42.16 98.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.023 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 336' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' D' ' 333' ' ' ILE . 84.0 mt -53.46 -44.51 68.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.434 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -68.05 -49.41 61.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.471 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -60.38 -43.9 96.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.251 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 339' ' ' CYS . . . . . 0.45 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 76.9 m -63.04 -53.44 53.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.155 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 340' ' ' ARG . . . . . 0.506 ' O ' ' CD2' ' D' ' 344' ' ' HIS . 22.2 mtp85 -51.88 -38.35 55.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.221 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -63.78 -60.04 3.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.612 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 342' ' ' GLU . . . . . 0.568 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.3 pt-20 -62.09 -36.48 81.83 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.433 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 343' ' ' PHE . . . . . 0.4 ' CD1' HD13 ' C' ' 273' ' ' LEU . 11.3 t80 -60.71 -42.06 96.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.139 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 344' ' ' HIS . . . . . 0.506 ' CD2' ' O ' ' D' ' 340' ' ' ARG . 31.2 m170 -66.43 -50.18 64.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.056 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -50.01 -46.46 52.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.257 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 12.2 mtp85 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.626 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 . . . . . 0 N--CA 1.462 0.143 0 CA-C-O 120.796 0.332 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -113.11 92.91 4.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.663 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.4 mt -95.79 45.26 1.08 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.369 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.7 m -79.93 18.37 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.726 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -170.91 84.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.605 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -134.01 174.16 10.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.365 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.3 mttp -122.38 165.02 16.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.669 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.426 ' OH ' ' N ' ' B' ' 176' ' ' GLY . 18.7 t80 -63.27 -49.48 73.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.433 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.43 -36.22 81.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.662 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -66.41 -55.21 16.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.667 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.572 HD21 ' CD ' ' A' ' 42' ' ' GLU . 15.9 mt -55.27 -56.3 21.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.478 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.76 HH12 HH22 ' B' ' 142' ' ' ARG . 14.9 tpt85 -53.87 -53.36 53.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.472 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' A' ' 29' ' ' THR . 9.4 t70 -52.96 -51.15 62.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.435 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.577 ' O ' ' N ' ' A' ' 30' ' ' SER . 24.1 m -50.84 -50.33 56.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.671 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.7 mt -67.5 -22.77 29.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.491 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.71 HD21 ' NH1' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -101.73 0.41 35.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.248 -179.647 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 25' ' ' ASP . 50.5 p -140.06 -1.53 1.56 Allowed 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.909 -0.317 . . . . 0.0 111.29 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.577 ' N ' ' O ' ' A' ' 26' ' ' THR . 2.0 t -119.72 157.15 29.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.021 0.439 . . . . 0.0 111.076 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.501 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 26.9 p -134.52 85.98 2.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.383 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -158.89 97.62 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.538 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.421 HG13 ' H ' ' A' ' 33' ' ' ILE . 1.9 mt -39.31 -42.39 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.863 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -56.41 -59.01 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.315 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 24.7 mt -58.88 -50.15 75.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.086 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.403 HD13 ' CG2' ' B' ' 170' ' ' VAL . 36.3 mt -50.41 -45.32 55.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.456 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.14 -48.95 77.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.386 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.89 -46.02 91.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.321 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 78.5 m -57.47 -53.52 57.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.283 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.2 mtp85 -55.63 -42.63 75.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.464 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -55.79 -62.86 1.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.658 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.572 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.9 pt-20 -59.57 -40.59 87.85 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.428 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.436 ' CD1' HD13 ' B' ' 173' ' ' LEU . 13.1 t80 -52.53 -42.66 64.56 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.027 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -69.99 -45.51 67.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.239 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -48.22 -52.94 18.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.488 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -46.88 -35.33 6.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.198 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 16.1 mt -86.07 -39.38 16.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.581 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.476 ' O ' ' CE1' ' A' ' 51' ' ' HIS . 72.3 tttt -62.75 -60.51 3.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.558 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 50' ' ' TYR . 3.5 t 61.44 -123.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.373 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.403 ' N ' HG12 ' A' ' 49' ' ' VAL . 69.4 m-85 -137.6 82.67 1.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.497 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.476 ' CE1' ' O ' ' A' ' 48' ' ' LYS . 5.2 m-70 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.555 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.454 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . 0.535 ' OE1' ' N ' ' B' ' 102' ' ' GLN . 1.3 mp0 -81.13 108.97 15.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.547 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 11.2 pt -108.53 146.16 14.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.454 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -98.88 147.24 25.15 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.799 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 5.0 t -137.7 108.85 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.429 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . 0.428 ' HZ3' ' CG2' ' B' ' 166' ' ' THR . 22.8 mtmm -89.56 134.61 34.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.634 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 74.6 p -93.28 -162.04 0.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.274 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.646 HD22 ' N ' ' B' ' 108' ' ' LEU . 3.2 mm? -71.88 -52.84 15.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.499 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . 0.42 ' H ' HG23 ' B' ' 109' ' ' THR . 6.0 p -62.99 -16.95 61.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.575 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.86 25.94 7.34 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -84.44 117.61 23.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.812 0.339 . . . . 0.0 110.515 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 6.5 m -91.24 135.23 33.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.676 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 2.2 mt -123.44 125.72 72.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.531 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 24.0 m -95.15 103.39 15.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.052 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 28.4 mt -114.69 135.65 53.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.975 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.603 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 4.2 mp0 -85.91 128.43 34.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.124 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' B' ' 101' ' ' MET . 15.8 m -147.05 -162.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.04 0.447 . . . . 0.0 110.973 -179.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -143.43 171.05 7.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.653 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -74.51 -6.84 18.85 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 C-N-CA 122.294 1.996 . . . . 0.0 112.318 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 2.4 p -104.92 -4.16 22.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.515 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -68.26 136.38 53.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.473 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 4.7 p -86.08 140.21 30.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.904 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 25.0 mm -45.97 -51.98 3.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.281 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -47.86 -40.85 22.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.242 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.453 ' O ' ' HB3' ' B' ' 128' ' ' ALA . 30.1 t-20 -61.65 -46.03 91.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.072 179.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 42.3 t -56.48 -45.77 82.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.958 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -56.73 -33.36 66.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.975 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' B' ' 125' ' ' ASN . . . -64.96 -55.27 20.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.167 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.421 ' NZ ' ' OD1' ' B' ' 125' ' ' ASN . 48.9 mttp -51.56 -48.56 63.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.188 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 49.8 mt -55.99 -45.29 80.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.155 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -54.86 -30.14 57.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.996 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -72.47 -40.47 66.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.517 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -71.99 -65.95 0.7 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.394 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -77.67 -108.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.606 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . 0.407 ' H ' ' H ' ' B' ' 136' ' ' ILE . . . 176.62 16.48 0.02 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.456 ' O ' ' OE1' ' B' ' 141' ' ' GLN . 30.1 mt -81.72 128.45 69.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -57.75 144.96 92.16 Favored 'Trans proline' 0 C--N 1.313 -1.297 0 C-N-CA 121.531 1.487 . . . . 0.0 111.639 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -52.38 -29.99 41.41 Favored 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 122.171 1.914 . . . . 0.0 111.804 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . 0.455 ' C ' ' H ' ' B' ' 141' ' ' GLN . 0.7 OUTLIER -71.01 -56.15 6.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.612 -179.845 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.427 ' OE1' ' O ' ' B' ' 172' ' ' ARG . 13.4 mm100 -71.44 41.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.598 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . 0.456 ' OE1' ' O ' ' B' ' 136' ' ' ILE . 35.8 mt-30 -134.36 160.03 39.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.586 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . 0.76 HH22 HH12 ' A' ' 24' ' ' ARG . 11.3 ttm180 -170.34 151.97 3.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.754 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.3 mt -130.77 138.25 49.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.135 0.493 . . . . 0.0 111.218 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 2.0 mt -130.2 137.18 57.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.903 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . 0.472 ' O ' ' N ' ' B' ' 148' ' ' LYS . 64.8 t80 -153.69 161.17 42.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.668 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 39.99 29.45 0.05 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.684 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' B' ' 145' ' ' PHE . . . 66.64 42.7 93.22 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' B' ' 145' ' ' PHE . 86.2 mttt -150.8 137.47 18.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.618 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -81.7 127.32 32.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.19 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 10.1 mt -83.08 133.32 35.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 110.69 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -80.07 159.98 25.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.572 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.9 -4.17 55.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.758 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -120.61 40.49 2.15 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -139.56 171.32 14.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.637 0.256 . . . . 0.0 110.326 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 3.8 p -110.73 163.27 13.93 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.907 0.384 . . . . 0.0 110.77 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.44 -16.2 61.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.763 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . 0.5 ' C ' ' H ' ' B' ' 159' ' ' TYR . 2.5 t -78.07 -34.2 50.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.687 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -72.53 17.8 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.618 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . 0.5 ' H ' ' C ' ' B' ' 157' ' ' SER . 59.8 m-85 -140.58 1.62 1.75 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.536 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 62.66 26.62 15.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.752 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 83.0 mt -79.53 100.02 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.454 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -83.82 -157.35 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.747 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 7.3 ptp85 -82.48 161.56 22.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.736 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 57.17 15.63 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.633 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 35.1 m -81.25 136.35 35.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 166' ' ' THR . . . . . 0.428 ' CG2' ' HZ3' ' B' ' 106' ' ' LYS . 3.1 m -87.04 155.35 20.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.453 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . 0.467 HD23 ' HB2' ' B' ' 145' ' ' PHE . 11.0 mt -139.79 124.27 18.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.598 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 168' ' ' HIS . . . . . 0.654 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.2 OUTLIER -83.77 105.65 14.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.177 179.761 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . 0.8 HD23 ' N ' ' B' ' 170' ' ' VAL . 5.8 tt -85.7 131.54 34.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.164 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 170' ' ' VAL . . . . . 0.8 ' N ' HD23 ' B' ' 169' ' ' LEU . 3.0 t -127.57 140.84 48.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.311 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.562 HD12 ' N ' ' B' ' 171' ' ' LEU . 8.6 mp -80.97 106.45 12.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.512 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . 0.616 ' NH1' ' NH2' ' A' ' 24' ' ' ARG . 46.8 ttt85 -60.66 110.21 1.24 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.519 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 173' ' ' LEU . . . . . 0.436 HD13 ' CD1' ' A' ' 43' ' ' PHE . 27.6 mt -78.07 142.24 38.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.535 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -81.3 128.77 34.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.566 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 161.79 167.0 21.6 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 176' ' ' GLY . . . . . 0.426 ' N ' ' OH ' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.526 0.755 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 201' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -95.92 115.39 27.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.694 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 17.6 pt -106.73 147.53 11.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.564 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -96.88 146.47 24.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.651 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 44.9 t -134.55 106.8 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.323 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -93.79 134.28 36.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 48.8 p -91.32 -169.56 2.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.424 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 208' ' ' LEU . . . . . 0.959 ' H ' HD22 ' C' ' 208' ' ' LEU . 0.4 OUTLIER -85.64 22.53 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.512 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 11.7 p -136.5 1.51 2.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.524 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 89.85 8.92 66.7 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -80.04 112.66 17.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.727 0.299 . . . . 0.0 110.556 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 15.2 m -95.04 143.27 26.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.704 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 1.4 mt -133.69 124.64 48.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.446 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 30.5 m -90.92 111.84 23.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.314 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 16.8 mt -116.91 128.73 55.51 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.944 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -81.02 122.22 27.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.13 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 217' ' ' VAL . . . . . . . . . . . . . 11.0 m -146.89 -169.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.007 0.432 . . . . 0.0 110.985 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 218' ' ' GLU . . . . . 0.524 ' N ' ' OD2' ' C' ' 221' ' ' ASP . 43.2 mt-10 -147.44 153.73 44.31 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.97 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.68 -48.59 10.27 Favored 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.832 2.355 . . . . 0.0 112.595 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 2.4 p -59.48 -36.14 75.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.38 -179.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 221' ' ' ASP . . . . . 0.524 ' OD2' ' N ' ' C' ' 218' ' ' GLU . 6.2 m-20 -41.8 138.28 1.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.014 0.435 . . . . 0.0 110.908 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 19.1 p -90.3 138.31 31.64 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.626 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 20.3 mm -43.78 -55.76 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.577 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -45.84 -43.15 13.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.31 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 225' ' ' ASN . . . . . 0.482 ' O ' ' HB3' ' C' ' 228' ' ' ALA . 30.4 t-20 -59.16 -46.07 89.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.416 . . . . 0.0 109.891 179.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 36.7 t -55.81 -47.44 79.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 227' ' ' LYS . . . . . 0.443 ' O ' ' OE1' ' C' ' 241' ' ' GLN . 80.3 mttt -53.82 -33.79 57.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.857 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 228' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' C' ' 225' ' ' ASN . . . -66.78 -41.19 88.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.151 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 48.5 mttm -62.18 -42.04 98.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.385 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 44.7 mt -65.25 -46.83 89.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.34 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 231' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' C' ' 231' ' ' GLN . 0.9 OUTLIER -55.75 -30.72 61.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.356 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 232' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' C' ' 228' ' ' ALA . 22.8 m-20 -76.21 -28.04 57.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.374 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 24.5 mmtm -78.55 -62.2 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.416 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -82.94 -79.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.5 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 235' ' ' GLY . . . . . 0.411 ' H ' ' H ' ' C' ' 236' ' ' ILE . . . 153.74 9.11 0.08 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 236' ' ' ILE . . . . . 0.527 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 47.6 mt -82.48 129.58 62.41 Favored Pre-proline 0 C--N 1.329 -0.299 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -56.12 149.84 51.44 Favored 'Trans proline' 0 N--CA 1.49 1.274 0 C-N-CA 121.568 1.512 . . . . 0.0 111.567 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 238' ' ' PRO . . . . . 0.512 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.5 Cg_endo -50.32 -68.11 0.09 OUTLIER 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.319 2.013 . . . . 0.0 112.146 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -39.01 -31.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.285 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -89.19 29.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.9 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 241' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 87.3 mt-30 -134.89 95.84 3.41 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.765 0.316 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 242' ' ' ARG . . . . . . . . . . . . . 31.5 ttt85 -100.95 120.84 40.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.103 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 12.5 mt -96.33 133.5 40.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.116 0.484 . . . . 0.0 111.224 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 244' ' ' ILE . . . . . 0.419 HG21 ' SG ' ' D' ' 331' ' ' CYS . 1.7 mt -130.1 117.65 41.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.883 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 245' ' ' PHE . . . . . 0.524 ' CZ ' ' OD2' ' A' ' 25' ' ' ASP . 46.5 t80 -100.52 76.34 1.83 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.878 0.371 . . . . 0.0 111.099 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 50.6 88.71 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.151 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 247' ' ' GLY . . . . . . . . . . . . . . . 58.31 36.31 82.72 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.531 -0.627 . . . . 0.0 111.531 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -151.02 89.54 1.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.718 0.294 . . . . 0.0 110.847 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 249' ' ' GLN . . . . . 0.575 HE21 ' C ' ' C' ' 250' ' ' LEU . 0.4 OUTLIER -70.19 117.21 11.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.009 179.572 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 250' ' ' LEU . . . . . 0.575 ' C ' HE21 ' C' ' 249' ' ' GLN . 10.9 mt -77.45 141.21 39.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.967 0.413 . . . . 0.0 111.12 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -83.99 160.24 21.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.398 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.95 -3.31 59.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.714 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -123.02 39.38 2.25 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 62.1 mmt-85 -139.41 175.54 9.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.676 0.274 . . . . 0.0 110.356 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 8.8 p -112.64 156.24 23.07 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.885 0.374 . . . . 0.0 110.815 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.12 -5.6 1.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.572 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 257' ' ' SER . . . . . . . . . . . . . 8.3 t -85.38 -40.77 16.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.693 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -51.9 -33.99 39.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.745 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -96.46 10.54 37.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.715 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 50.77 39.68 22.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 69.1 mt -82.33 105.12 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.383 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 262' ' ' GLN . . . . . 0.497 HE22 HH22 ' B' ' 172' ' ' ARG . 43.9 mt-30 -82.78 -156.83 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -83.93 161.67 20.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 55.58 29.05 12.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.721 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 37.9 m -83.17 131.99 35.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.573 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 9.1 m -87.92 112.38 22.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.495 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 11.3 mt -107.27 132.95 52.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.561 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 268' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -90.79 110.22 21.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.404 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 30.8 tp -86.18 139.2 31.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 270' ' ' VAL . . . . . 0.597 ' CG1' ' CZ ' ' D' ' 340' ' ' ARG . 12.1 t -134.27 145.29 33.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.231 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 271' ' ' LEU . . . . . . . . . . . . . 7.9 mt -87.27 97.28 10.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.538 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -62.48 101.87 0.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.54 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 273' ' ' LEU . . . . . . . . . . . . . 12.6 mt -78.23 151.06 33.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.53 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.504 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.874 0.368 . . . . 0.0 110.463 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 314' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' D' ' 314' ' ' ASP . 0.5 OUTLIER -84.45 92.99 8.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.624 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 10.6 mt -95.79 44.98 1.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.457 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 59.0 p -82.98 18.44 1.64 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.787 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.75 84.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.66 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -133.83 -178.29 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.281 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -125.28 160.55 28.99 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.563 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -58.37 -51.37 70.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.578 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -63.14 -45.09 93.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.748 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -57.49 -43.45 84.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.68 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 323' ' ' LEU . . . . . 0.556 HD21 ' CD ' ' D' ' 342' ' ' GLU . 14.6 mt -67.63 -55.39 13.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.512 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 324' ' ' ARG . . . . . 0.478 ' O ' ' ND2' ' D' ' 328' ' ' ASN . 9.9 ttt-85 -57.12 -53.39 58.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.605 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 325' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' D' ' 329' ' ' THR . 8.0 t70 -53.37 -50.98 63.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.343 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 326' ' ' THR . . . . . 0.581 ' O ' ' N ' ' D' ' 330' ' ' SER . 63.7 m -53.92 -47.84 70.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.289 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 327' ' ' ILE . . . . . 0.719 HD13 ' NH1' ' D' ' 340' ' ' ARG . 57.9 mt -67.57 -31.43 52.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.445 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 328' ' ' ASN . . . . . 0.483 HD22 ' N ' ' D' ' 328' ' ' ASN . 1.5 m-80 -88.82 -4.42 58.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.723 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.451 ' N ' ' O ' ' D' ' 325' ' ' ASP . 71.0 p -126.75 -10.26 6.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.198 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 330' ' ' SER . . . . . 0.581 ' N ' ' O ' ' D' ' 326' ' ' THR . 13.7 t -104.94 173.51 6.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.054 0.454 . . . . 0.0 111.14 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 331' ' ' CYS . . . . . 0.419 ' SG ' HG21 ' C' ' 244' ' ' ILE . 96.9 m -150.1 34.12 0.66 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.447 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 332' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' D' ' 333' ' ' ILE . 0.9 OUTLIER -110.11 101.83 10.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.651 -179.818 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . 0.742 ' H ' HD12 ' D' ' 333' ' ' ILE . 0.7 OUTLIER -38.96 -44.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.474 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -53.43 -57.03 12.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.041 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 335' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' D' ' 335' ' ' LEU . 18.6 mt -59.85 -47.01 87.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.939 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 336' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' D' ' 333' ' ' ILE . 23.5 mt -54.67 -46.64 74.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.449 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -64.07 -49.15 73.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.456 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -56.87 -43.37 81.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.338 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 339' ' ' CYS . . . . . 0.558 ' HB3' HD11 ' D' ' 327' ' ' ILE . 61.6 m -63.08 -53.59 51.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.197 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 340' ' ' ARG . . . . . 0.719 ' NH1' HD13 ' D' ' 327' ' ' ILE . 0.8 OUTLIER -56.7 -31.32 64.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.265 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -67.27 -53.68 27.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.304 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 342' ' ' GLU . . . . . 0.556 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.7 pt-20 -67.95 -37.76 81.99 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.706 -0.397 . . . . 0.0 110.49 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -62.18 -44.95 95.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 344' ' ' HIS . . . . . 0.456 ' CG ' ' O ' ' D' ' 340' ' ' ARG . 30.8 m170 -64.71 -54.68 27.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.266 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -47.18 -56.3 6.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.432 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 69.4 mtt-85 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.716 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.52 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 3.3 m-85 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.726 0.298 . . . . 0.0 110.537 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -80.9 92.88 6.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.57 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.0 mt -97.35 43.42 1.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.466 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.7 t -82.33 2.71 30.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.692 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -147.68 73.81 1.29 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.692 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -131.12 159.42 37.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.341 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -105.49 168.28 9.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.74 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -66.21 -47.31 74.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.464 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.85 -36.38 79.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.681 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -67.58 -55.33 13.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.621 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.59 HD21 ' CD ' ' A' ' 42' ' ' GLU . 16.0 mt -56.6 -56.76 17.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.549 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.524 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 5.0 tpt180 -54.81 -53.41 55.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.509 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.434 ' O ' ' OG1' ' A' ' 29' ' ' THR . 5.6 t70 -54.63 -50.23 68.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.566 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 30' ' ' SER . 25.6 m -53.59 -40.99 66.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.669 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.1 mt -76.43 -25.04 16.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.67 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.642 HD22 ' N ' ' A' ' 28' ' ' ASN . 0.8 OUTLIER -91.03 -8.33 49.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.945 -179.753 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.48 HG21 ' HB2' ' C' ' 246' ' ' ALA . 16.9 p -126.74 -44.46 1.66 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.01 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.5 OUTLIER -76.61 150.09 36.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.019 0.437 . . . . 0.0 111.064 -179.495 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.609 ' SG ' ' CG ' ' B' ' 168' ' ' HIS . 13.5 t -124.92 31.5 5.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.29 94.19 9.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.515 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.497 ' HA ' HD12 ' A' ' 36' ' ' LEU . 2.6 mt -39.46 -40.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.855 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -57.43 -59.04 5.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.417 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.456 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 11.9 mt -58.78 -46.13 88.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.192 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.499 HD13 ' CG2' ' B' ' 170' ' ' VAL . 82.9 mt -50.69 -43.71 57.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.451 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.56 -49.31 66.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.23 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.66 -41.29 90.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.222 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 70.8 m -61.22 -53.5 56.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.152 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.423 ' HE ' ' HB2' ' B' ' 171' ' ' LEU . 17.4 mtp-105 -52.54 -42.31 64.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.183 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -59.1 -62.87 1.56 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.729 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.59 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.9 pt-20 -59.73 -42.01 92.17 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.457 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.497 ' CD1' HD13 ' B' ' 173' ' ' LEU . 21.4 t80 -53.49 -41.41 66.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.065 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.42 ' CD2' ' O ' ' A' ' 40' ' ' ARG . 16.2 m170 -69.27 -44.33 72.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.165 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 49' ' ' VAL . 48.1 mtp180 -51.34 -52.52 44.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.456 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.452 ' O ' HG12 ' A' ' 49' ' ' VAL . 1.3 mpt_? -46.01 -32.02 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.237 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.4 mt -89.16 -37.06 15.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.496 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -89.64 10.65 22.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.6 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.853 HG22 ' H ' ' A' ' 50' ' ' TYR . 8.1 p -74.02 179.65 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.387 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.853 ' H ' HG22 ' A' ' 49' ' ' VAL . 8.1 t80 -64.98 -141.55 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.409 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 . . . . . 0 C--N 1.324 -0.521 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.639 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 2.1 ptt? . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -100.65 117.5 34.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.581 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 23.4 pt -103.88 149.74 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.609 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -102.27 133.04 47.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.586 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 97.2 t -119.28 113.46 41.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.315 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -98.25 132.45 43.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.768 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . 0.456 ' O ' ' N ' ' B' ' 110' ' ' GLY . 24.5 p -99.56 -179.81 4.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.32 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 1.062 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.4 OUTLIER -42.81 -66.9 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.531 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 36.8 p -56.41 -5.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.539 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' B' ' 108' ' ' LEU . . . 89.64 3.61 74.21 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -52.03 112.64 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.746 0.307 . . . . 0.0 110.402 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.1 m -87.77 146.29 25.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.668 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 2.9 mt -140.73 127.92 22.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.556 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 8.5 m -91.88 112.33 24.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.258 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 20.8 mt -116.29 126.67 53.88 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.873 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -78.12 117.78 19.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.154 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 7.6 m -146.47 168.54 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.949 0.404 . . . . 0.0 110.991 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.524 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 1.5 mt-10 -111.44 177.51 1.19 Allowed Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.586 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -74.76 -28.29 9.76 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.375 2.05 . . . . 0.0 112.006 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 3.9 t -84.91 -12.91 52.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.663 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . 0.524 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 50.7 m-20 -54.42 135.74 44.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.53 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 15.4 p -86.55 140.14 30.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 5.2 mm -46.72 -41.21 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.11 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.15 -40.55 74.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.0 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.546 HD22 ' C ' ' B' ' 125' ' ' ASN . 0.2 OUTLIER -62.36 -40.88 97.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.798 179.356 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 19.1 t -60.72 -53.07 54.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.928 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 39.9 mttp -49.99 -34.45 21.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.777 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' B' ' 125' ' ' ASN . . . -66.0 -43.16 88.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.138 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -59.93 -40.18 88.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.319 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 4.8 mt -66.87 -47.96 81.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.359 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -55.71 -24.55 35.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.282 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' B' ' 128' ' ' ALA . 1.0 OUTLIER -83.52 -27.7 29.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.565 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -83.78 -65.89 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.667 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -81.21 -106.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.65 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -175.83 18.85 0.04 OUTLIER Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.43 ' O ' ' OE1' ' B' ' 141' ' ' GLN . 36.7 mt -91.78 112.51 54.97 Favored Pre-proline 0 CA--C 1.532 0.258 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -63.92 152.72 79.53 Favored 'Trans proline' 0 C--N 1.314 -1.268 0 C-N-CA 121.484 1.456 . . . . 0.0 111.761 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.9 Cg_endo -47.82 -62.63 0.41 Allowed 'Trans proline' 0 C--N 1.309 -1.552 0 C-N-CA 122.497 2.131 . . . . 0.0 111.892 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -43.45 -23.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.69 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.416 ' N ' ' C ' ' B' ' 138' ' ' PRO . 80.0 mt-30 -105.66 34.87 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.546 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' B' ' 138' ' ' PRO . 33.5 mt-30 -134.37 163.98 28.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.56 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . 0.614 ' NH1' ' NE2' ' B' ' 149' ' ' GLN . 25.2 ttt85 -170.32 104.59 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.162 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 13.1 mt -87.39 128.09 35.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.07 0.462 . . . . 0.0 110.903 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . 0.516 HG22 ' SG ' ' A' ' 31' ' ' CYS . 1.7 mt -123.05 142.4 39.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.084 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . 0.417 ' O ' ' HB3' ' B' ' 146' ' ' ALA . 66.2 t80 -146.39 104.4 3.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.815 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' B' ' 145' ' ' PHE . . . 65.7 72.65 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 38.64 43.14 1.56 Allowed Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -148.57 119.36 7.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.884 0.373 . . . . 0.0 110.535 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . 0.614 ' NE2' ' NH1' ' B' ' 142' ' ' ARG . 24.5 tt0 -80.23 124.85 29.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.317 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 14.5 mt -79.42 128.48 33.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.661 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -75.4 162.01 28.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.644 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.22 -34.11 49.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.707 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -88.86 41.29 3.04 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -139.68 146.89 40.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.756 0.312 . . . . 0.0 110.468 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . 0.416 ' C ' ' H ' ' B' ' 157' ' ' SER . 15.8 p -94.81 164.43 12.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.881 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 79.8 mt -66.6 2.15 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.64 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . 0.416 ' H ' ' C ' ' B' ' 155' ' ' THR . 85.4 p -96.46 -27.57 14.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.521 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -78.54 15.28 1.04 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.567 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -140.57 5.49 2.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.534 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 60.98 25.91 15.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.698 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 84.5 mt -77.55 99.64 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.517 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -82.86 -157.21 0.21 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.665 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -83.59 160.2 21.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.779 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 55.79 23.08 6.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.734 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 28.9 m -85.21 135.74 33.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.499 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 8.0 m -84.51 152.49 23.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.532 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.1 mt -140.09 132.49 28.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.307 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 168' ' ' HIS . . . . . 0.666 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.1 OUTLIER -88.58 100.12 12.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.47 -179.834 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 46.1 tp -84.79 133.49 34.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.862 0.363 . . . . 0.0 110.673 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 170' ' ' VAL . . . . . 0.499 ' CG2' HD13 ' A' ' 36' ' ' LEU . 2.5 t -133.9 142.44 41.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.498 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.681 HD12 ' N ' ' B' ' 171' ' ' LEU . 8.0 mp -80.49 105.19 11.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.571 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -57.69 105.11 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.529 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 173' ' ' LEU . . . . . 0.497 HD13 ' CD1' ' A' ' 43' ' ' PHE . 23.8 mt -72.83 167.93 19.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.533 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -59.56 137.79 57.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.528 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 160.78 83.37 0.05 OUTLIER Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.707 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 201' ' ' MET . . . . . 0.524 ' N ' ' O ' ' C' ' 217' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 202' ' ' GLN . . . . . 0.411 ' O ' ' OE1' ' C' ' 264' ' ' GLU . 16.1 mt-30 -86.72 119.2 26.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.544 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 15.8 pt -112.47 145.12 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.626 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -99.31 143.03 30.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.439 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 75.9 t -124.63 114.45 40.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.396 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 7.7 tptp -80.37 143.14 33.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.585 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 6.8 p -112.07 175.25 5.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.485 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 208' ' ' LEU . . . . . 0.898 ' H ' HD22 ' C' ' 208' ' ' LEU . 0.5 OUTLIER -83.54 23.89 0.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.424 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 209' ' ' THR . . . . . 0.486 ' C ' ' H ' ' C' ' 211' ' ' LYS . 9.3 p -136.52 26.03 3.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.553 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 67.87 -8.82 1.64 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 211' ' ' LYS . . . . . 0.486 ' H ' ' C ' ' C' ' 209' ' ' THR . 46.0 tttm -76.05 161.74 28.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.55 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 212' ' ' THR . . . . . 0.501 HG22 ' N ' ' C' ' 213' ' ' ILE . 54.3 m -136.27 160.48 38.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.474 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 213' ' ' ILE . . . . . 0.501 ' N ' HG22 ' C' ' 212' ' ' THR . 2.2 mt -141.1 125.98 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.604 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 4.9 m -99.35 126.06 45.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.365 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 38.0 mt -131.86 138.72 48.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.877 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 216' ' ' GLU . . . . . 0.596 ' CD ' ' H ' ' C' ' 216' ' ' GLU . 17.1 mp0 -84.15 125.64 32.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.122 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 217' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' C' ' 201' ' ' MET . 10.8 m -146.69 179.27 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.964 0.411 . . . . 0.0 110.874 -179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 218' ' ' GLU . . . . . 0.568 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 83.7 mt-10 -135.62 150.07 70.96 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.966 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.92 -22.48 2.02 Favored 'Trans proline' 0 C--N 1.31 -1.462 0 C-N-CA 122.532 2.155 . . . . 0.0 112.344 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.3 p -92.94 11.27 27.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.057 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 221' ' ' ASP . . . . . 0.568 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 7.9 m-20 -84.05 134.31 34.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 110.303 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 222' ' ' THR . . . . . 0.462 ' O ' ' N ' ' C' ' 225' ' ' ASN . 6.9 p -84.17 134.4 34.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.805 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 31.3 mm -43.84 -45.23 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.16 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -55.76 -34.15 64.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.068 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 225' ' ' ASN . . . . . 0.531 HD22 ' C ' ' C' ' 225' ' ' ASN . 0.2 OUTLIER -66.94 -39.26 87.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.994 179.474 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 14.8 t -65.29 -47.68 86.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.235 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -55.96 -37.31 68.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.243 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -66.48 -38.2 86.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.402 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -64.16 -42.52 96.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.478 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 59.4 mt -68.73 -29.59 44.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.497 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 231' ' ' GLN . . . . . 0.432 ' O ' ' OE1' ' C' ' 231' ' ' GLN . 0.6 OUTLIER -73.15 -22.65 60.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.196 179.819 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -83.54 -36.07 24.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.598 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -83.35 -66.4 0.9 Allowed 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.318 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -68.19 -114.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.551 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -172.9 13.37 0.04 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 236' ' ' ILE . . . . . 0.523 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 15.2 mt -93.25 112.9 58.37 Favored Pre-proline 0 CA--C 1.532 0.277 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -62.28 155.46 56.79 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 121.564 1.509 . . . . 0.0 111.774 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 238' ' ' PRO . . . . . 0.522 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.7 Cg_endo -46.3 -67.82 0.11 Allowed 'Trans proline' 0 C--N 1.309 -1.526 0 C-N-CA 122.696 2.264 . . . . 0.0 112.015 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -42.29 -20.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.831 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 240' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' C' ' 238' ' ' PRO . 32.3 mt-30 -108.39 33.8 3.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.646 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 241' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 58.0 mt-30 -134.37 162.8 31.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.46 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 242' ' ' ARG . . . . . 0.634 HH21 ' CD ' ' C' ' 272' ' ' ARG . 18.9 ttm180 -170.26 116.52 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.473 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 17.5 mt -97.89 132.44 43.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.732 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.5 mt -126.16 142.72 41.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.5 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 245' ' ' PHE . . . . . 0.664 ' O ' ' HB3' ' C' ' 246' ' ' ALA . 60.7 t80 -143.36 93.02 2.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.604 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 246' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' C' ' 245' ' ' PHE . . . 81.18 52.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.65 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 247' ' ' GLY . . . . . 0.487 ' H ' ' HB3' ' D' ' 331' ' ' CYS . . . 72.48 -41.82 0.82 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 248' ' ' LYS . . . . . 0.412 ' H ' ' C ' ' C' ' 246' ' ' ALA . 7.0 ptpt -70.68 137.78 50.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.942 0.401 . . . . 0.0 110.84 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 249' ' ' GLN . . . . . 0.626 ' NE2' ' NE ' ' C' ' 242' ' ' ARG . 32.0 tt0 -91.91 143.71 26.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.289 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 11.6 mt -89.23 125.57 35.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.767 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 251' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' C' ' 251' ' ' GLU . 0.6 OUTLIER -68.91 162.21 27.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.612 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.72 -33.58 31.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.857 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -92.52 41.45 2.76 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 22.9 mmt-85 -139.74 170.58 15.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.669 0.271 . . . . 0.0 110.314 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 23.5 p -113.48 163.66 14.62 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.691 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 88.5 mt -58.7 -39.38 80.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.699 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 257' ' ' SER . . . . . 0.491 ' C ' ' H ' ' C' ' 259' ' ' TYR . 14.6 t -59.42 -33.66 71.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -71.7 15.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.731 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 259' ' ' TYR . . . . . 0.491 ' H ' ' C ' ' C' ' 257' ' ' SER . 54.8 m-85 -140.71 5.92 2.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.577 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 260' ' ' ASN . . . . . 0.524 ' ND2' ' OE1' ' B' ' 149' ' ' GLN . 53.9 t30 60.83 27.24 17.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.787 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 82.5 mt -80.49 105.98 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.449 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -83.26 -157.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -85.65 157.64 20.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.745 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 264' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' C' ' 202' ' ' GLN . 6.0 mm-40 58.57 32.1 21.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.847 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 29.6 m -84.37 128.28 34.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.531 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 8.0 m -91.86 93.04 8.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.647 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 267' ' ' LEU . . . . . 0.55 ' C ' ' HD1' ' C' ' 268' ' ' HIS . 2.4 mp -78.62 168.73 19.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.591 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 268' ' ' HIS . . . . . 0.617 ' ND1' ' N ' ' C' ' 268' ' ' HIS . 0.1 OUTLIER -114.98 111.75 21.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.179 179.712 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 42.2 tp -89.8 131.4 35.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.365 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 270' ' ' VAL . . . . . 0.482 HG11 HG23 ' D' ' 327' ' ' ILE . 0.8 OUTLIER -136.38 141.93 39.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.441 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 271' ' ' LEU . . . . . 0.642 ' N ' HD12 ' C' ' 271' ' ' LEU . 8.3 mp -80.36 99.46 7.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.297 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 272' ' ' ARG . . . . . 0.634 ' CD ' HH21 ' C' ' 242' ' ' ARG . 24.0 ttm180 -56.72 110.91 0.87 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.476 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 273' ' ' LEU . . . . . 0.499 HD13 ' CD1' ' D' ' 343' ' ' PHE . 11.8 mt -86.09 68.79 10.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.496 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.601 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.819 0.342 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.84 92.91 4.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.55 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 13.8 mt -87.58 41.38 0.98 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.519 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 65.8 m -86.09 18.37 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.636 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -147.44 18.57 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.589 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -91.56 173.83 7.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.497 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -116.67 163.72 15.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.347 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -61.26 -49.35 77.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.622 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.72 96.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.712 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -57.38 -58.54 7.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.486 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 323' ' ' LEU . . . . . 0.545 HD13 ' OE1' ' D' ' 342' ' ' GLU . 16.1 mt -52.87 -61.58 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.54 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 324' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -53.07 -51.86 60.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.436 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 325' ' ' ASP . . . . . 0.54 ' O ' ' N ' ' D' ' 329' ' ' THR . 6.6 t70 -53.32 -51.14 63.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.475 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 326' ' ' THR . . . . . 0.549 ' O ' ' N ' ' D' ' 330' ' ' SER . 53.2 m -51.18 -48.05 62.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.704 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 327' ' ' ILE . . . . . 0.482 HG23 HG11 ' C' ' 270' ' ' VAL . 97.4 mt -66.46 -27.81 41.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.481 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 328' ' ' ASN . . . . . 0.696 HD22 ' N ' ' D' ' 328' ' ' ASN . 0.7 OUTLIER -99.64 1.06 43.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.277 -179.358 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.54 ' N ' ' O ' ' D' ' 325' ' ' ASP . 70.6 p -133.95 -6.24 2.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.608 0.242 . . . . 0.0 110.881 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 330' ' ' SER . . . . . 0.549 ' N ' ' O ' ' D' ' 326' ' ' THR . 3.0 t -118.11 170.84 8.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.984 0.421 . . . . 0.0 110.734 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 331' ' ' CYS . . . . . 0.487 ' HB3' ' H ' ' C' ' 247' ' ' GLY . 1.2 p -137.2 18.87 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.247 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -83.01 91.76 7.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.252 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . 0.542 ' HA ' HD12 ' D' ' 336' ' ' LEU . 3.4 mm -38.1 -44.18 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.816 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 334' ' ' GLU . . . . . 0.583 ' CD ' ' H ' ' D' ' 334' ' ' GLU . 20.8 mp0 -53.87 -58.8 5.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.35 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 7.9 mt -54.72 -45.14 74.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.33 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 336' ' ' LEU . . . . . 0.542 HD12 ' HA ' ' D' ' 333' ' ' ILE . 67.2 mt -50.59 -48.06 57.88 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.113 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.26 -49.26 77.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.275 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -62.44 -53.51 53.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.168 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 339' ' ' CYS . . . . . 0.464 ' O ' ' OE2' ' D' ' 342' ' ' GLU . 97.7 m -52.23 -35.82 50.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.164 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 340' ' ' ARG . . . . . 0.511 HH21 HD22 ' C' ' 271' ' ' LEU . 17.7 mtp-105 -76.22 -30.74 58.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.078 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 341' ' ' GLU . . . . . 0.426 ' CG ' ' N ' ' D' ' 342' ' ' GLU . 1.7 pt-20 -69.27 -43.41 73.97 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.089 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 342' ' ' GLU . . . . . 0.545 ' OE1' HD13 ' D' ' 323' ' ' LEU . 3.0 pp20? -73.01 -40.21 65.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.798 179.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 343' ' ' PHE . . . . . 0.499 ' CD1' HD13 ' C' ' 273' ' ' LEU . 8.3 t80 -59.54 -39.43 83.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.211 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -72.85 -56.36 5.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.501 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 345' ' ' ARG . . . . . 0.436 ' NH2' ' CB ' ' D' ' 342' ' ' GLU . 0.6 OUTLIER -46.61 -43.37 17.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.224 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.456 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.505 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 8.5 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.772 0.32 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.71 92.86 5.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.481 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.9 mt -100.6 43.41 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.505 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.1 m -84.66 4.32 32.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.707 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.8 mttm -146.64 66.39 1.17 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.61 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -127.94 164.78 21.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.329 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -114.71 170.98 7.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.51 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -66.27 -45.56 80.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.511 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.81 80.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.662 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -68.45 -55.01 13.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.627 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.474 HD21 ' CD ' ' A' ' 42' ' ' GLU . 13.3 mt -58.2 -56.97 15.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.519 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.724 HH12 ' HE ' ' B' ' 172' ' ' ARG . 0.1 OUTLIER -53.05 -52.58 58.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.45 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.524 ' OD2' ' CE1' ' C' ' 245' ' ' PHE . 4.4 t70 -54.72 -50.26 68.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.484 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.553 ' O ' ' N ' ' A' ' 30' ' ' SER . 22.9 m -51.44 -46.66 63.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 88.4 mt -73.33 -25.64 21.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.894 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.69 HD22 ' N ' ' A' ' 28' ' ' ASN . 0.7 OUTLIER -89.58 -7.6 54.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.091 -179.698 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.47 HG21 ' HB3' ' C' ' 246' ' ' ALA . 21.9 p -129.97 -47.12 1.13 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.212 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.553 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.2 t -65.0 164.43 12.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.984 0.421 . . . . 0.0 111.168 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.441 ' SG ' ' CG2' ' B' ' 144' ' ' ILE . 85.2 m -141.94 40.43 1.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.406 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -111.01 99.91 8.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.774 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.711 ' H ' HD12 ' A' ' 33' ' ' ILE . 1.2 mp -39.92 -43.01 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.677 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.598 ' CD ' ' H ' ' A' ' 34' ' ' GLU . 24.5 mp0 -55.42 -58.9 5.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.232 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.477 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 11.6 mt -58.59 -50.33 74.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.089 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 68.8 mt -50.42 -44.62 55.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.52 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.43 -49.22 74.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.582 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.0 -43.39 98.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.516 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.477 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 60.5 m -58.78 -51.78 68.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.381 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.1 mtp-105 -60.03 -38.17 81.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.393 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -58.23 -57.95 10.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.771 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.474 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.8 pt-20 -63.16 -35.64 80.98 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.652 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CD1' HD13 ' B' ' 173' ' ' LEU . 3.5 t80 -58.88 -41.56 87.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.205 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -71.21 -53.55 14.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.471 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 -45.85 -50.04 14.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.379 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 70.8 mtt-85 -50.35 -40.19 48.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.476 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 56.6 mt -74.13 -36.26 64.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.512 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -78.78 -76.42 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.541 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 49' ' ' VAL . 11.7 p -95.08 132.19 39.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.568 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -166.17 61.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.535 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.572 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.521 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -88.71 114.12 24.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.524 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 20.3 pt -104.06 149.18 8.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.621 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -101.18 145.73 28.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.515 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 44.7 t -126.05 107.42 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.031 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -96.72 124.38 40.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.747 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 41.3 p -86.32 -160.34 0.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.437 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.937 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.5 OUTLIER -83.76 -34.12 24.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.351 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 5.0 p -78.96 4.32 14.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.526 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.48 21.02 60.92 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -81.8 112.7 19.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.765 0.317 . . . . 0.0 110.612 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 6.8 m -95.69 135.65 37.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.504 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 3.5 mt -132.64 129.59 58.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.64 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 4.5 m -95.83 125.44 40.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.432 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 27.5 mt -131.59 133.62 45.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.691 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -79.4 123.43 27.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.319 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . 0.521 ' O ' ' N ' ' B' ' 101' ' ' MET . 6.4 m -147.12 -179.74 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.951 0.405 . . . . 0.0 110.778 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.582 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 81.5 mt-10 -136.53 150.43 70.36 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.904 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.3 -25.86 3.49 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.537 2.158 . . . . 0.0 112.44 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.4 p -90.06 11.45 20.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.127 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . 0.582 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 6.5 m-20 -83.48 133.98 34.87 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.272 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . 0.448 ' O ' ' N ' ' B' ' 125' ' ' ASN . 8.1 p -84.27 135.09 34.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.829 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 28.8 mm -43.27 -43.14 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.133 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -56.49 -39.24 72.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.022 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.5 ' OD1' ' NZ ' ' B' ' 129' ' ' LYS . 36.2 t-20 -62.99 -37.91 89.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.869 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 16.0 t -64.74 -55.21 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.946 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -47.51 -39.03 15.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.212 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.38 91.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.397 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.5 ' NZ ' ' OD1' ' B' ' 125' ' ' ASN . 60.4 mttp -57.96 -42.49 85.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.433 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 4.7 mt -64.07 -48.82 84.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.376 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.8 OUTLIER -54.08 -26.85 29.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.378 179.847 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -80.31 -29.8 38.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.449 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -80.13 -66.28 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.513 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -81.22 -108.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.627 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -169.37 9.63 0.05 OUTLIER Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.418 ' O ' ' OE1' ' B' ' 141' ' ' GLN . 21.5 mt -80.66 115.47 55.6 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -62.4 153.2 72.33 Favored 'Trans proline' 0 C--N 1.315 -1.186 0 C-N-CA 121.448 1.432 . . . . 0.0 111.612 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.5 Cg_endo -47.86 -67.89 0.1 Allowed 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.515 2.143 . . . . 0.0 112.058 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -43.97 -23.1 0.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.181 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -99.64 28.81 4.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.916 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' B' ' 138' ' ' PRO . 21.7 mt-30 -134.62 145.27 48.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.943 0.401 . . . . 0.0 110.787 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . 0.579 ' NE ' ' NE2' ' B' ' 149' ' ' GLN . 8.0 ttt180 -150.52 114.22 4.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.961 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.0 mt -91.01 134.79 34.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.224 0.535 . . . . 0.0 111.301 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . 0.441 ' CG2' ' SG ' ' A' ' 31' ' ' CYS . 2.6 mt -131.02 134.85 61.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.048 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . 0.521 ' CD1' ' O ' ' B' ' 166' ' ' THR . 43.6 t80 -150.83 161.98 41.63 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.75 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 41.77 29.39 0.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.759 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 66.48 37.46 92.68 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' B' ' 145' ' ' PHE . 24.5 mtpp -145.73 136.61 24.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.804 0.335 . . . . 0.0 110.586 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . 0.579 ' NE2' ' NE ' ' B' ' 142' ' ' ARG . 18.7 tt0 -79.56 124.62 28.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.139 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 10.0 mt -81.23 126.74 31.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.357 . . . . 0.0 110.768 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . 0.408 ' OE2' ' OD1' ' C' ' 260' ' ' ASN . 11.8 mm-40 -73.54 161.35 30.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.538 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.13 -27.0 39.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -97.35 41.15 2.37 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.286 -0.725 . . . . 0.0 111.286 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -139.64 171.91 13.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 25.3 p -114.81 163.97 14.75 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.876 0.369 . . . . 0.0 110.793 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 90.2 mt -59.9 -38.03 81.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.651 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . 0.48 ' C ' ' H ' ' B' ' 159' ' ' TYR . 54.7 p -62.18 -32.15 72.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.692 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -71.95 15.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.753 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . 0.48 ' H ' ' C ' ' B' ' 157' ' ' SER . 52.3 m-85 -140.61 7.42 2.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.543 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 64.9 t30 61.25 24.71 14.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.763 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 96.7 mt -78.15 104.21 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.462 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -81.9 -159.04 0.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.749 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -85.73 158.64 19.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.763 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 55.67 28.6 12.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.803 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 19.7 m -93.85 134.72 35.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.523 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 166' ' ' THR . . . . . 0.521 ' O ' ' CD1' ' B' ' 145' ' ' PHE . 5.9 m -78.18 156.37 29.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.407 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.1 mt -140.07 114.21 9.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.251 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 168' ' ' HIS . . . . . 0.69 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -70.07 102.65 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.172 -179.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 42.8 tp -87.28 132.57 33.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.354 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.5 t -127.46 142.54 43.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.377 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.561 HD12 ' N ' ' B' ' 171' ' ' LEU . 8.7 mp -79.49 97.12 6.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.437 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . 0.724 ' HE ' HH12 ' A' ' 24' ' ' ARG . 0.0 OUTLIER -60.13 94.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.304 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 173' ' ' LEU . . . . . 0.465 HD13 ' CD1' ' A' ' 43' ' ' PHE . 23.9 mt -61.57 128.06 34.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.591 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 12.7 ttt85 53.31 -137.36 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.484 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 152.95 40.0 0.02 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.676 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 201' ' ' MET . . . . . 0.751 ' SD ' HG23 ' C' ' 203' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -156.54 94.16 1.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.468 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 203' ' ' ILE . . . . . 0.751 HG23 ' SD ' ' C' ' 201' ' ' MET . 7.3 pt -104.14 149.7 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.768 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -103.58 143.88 32.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.488 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 45.3 t -127.66 116.55 43.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.637 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -97.56 129.5 44.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.554 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 32.2 p -88.11 -149.67 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.385 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 208' ' ' LEU . . . . . 0.917 ' H ' HD22 ' C' ' 208' ' ' LEU . 0.7 OUTLIER -82.99 -54.58 4.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.386 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 73.3 p -63.76 2.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.647 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 210' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' C' ' 208' ' ' LEU . . . 83.71 21.37 58.02 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -77.92 116.61 18.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.447 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 6.0 m -91.12 145.32 24.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.568 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 2.9 mt -140.0 127.04 23.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.484 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 6.2 m -91.88 126.63 37.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.238 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 30.9 mt -129.88 140.44 50.98 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.884 0.373 . . . . 0.0 110.845 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -91.87 128.09 37.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.146 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 217' ' ' VAL . . . . . 0.507 ' CG2' ' SD ' ' C' ' 201' ' ' MET . 17.2 m -148.65 -159.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.06 0.457 . . . . 0.0 110.882 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 218' ' ' GLU . . . . . 0.501 ' C ' ' H ' ' C' ' 220' ' ' SER . 42.7 mt-10 -151.35 146.5 19.05 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.823 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -50.34 -4.68 0.06 OUTLIER 'Trans proline' 0 C--N 1.309 -1.532 0 C-N-CA 122.357 2.038 . . . . 0.0 112.448 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 220' ' ' SER . . . . . 0.501 ' H ' ' C ' ' C' ' 218' ' ' GLU . 1.7 p -109.72 9.54 24.87 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.662 0.268 . . . . 0.0 110.949 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 221' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -82.69 138.08 34.23 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.367 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 222' ' ' THR . . . . . 0.431 ' O ' ' N ' ' C' ' 225' ' ' ASN . 5.0 p -84.17 133.97 34.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.785 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 27.6 mm -43.6 -40.4 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.254 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -58.77 -39.61 81.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.296 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 225' ' ' ASN . . . . . 0.526 HD22 ' C ' ' C' ' 225' ' ' ASN . 0.1 OUTLIER -64.14 -40.15 95.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.089 179.629 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 21.0 t -63.1 -49.06 84.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.005 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 227' ' ' LYS . . . . . 0.407 ' CA ' HE22 ' C' ' 241' ' ' GLN . 83.3 mttt -52.84 -39.7 62.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.156 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.15 -42.39 99.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.26 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -59.11 -42.54 90.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.256 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 8.7 mt -65.97 -33.97 67.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.242 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -66.07 -27.37 68.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.293 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -82.24 -26.36 33.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.66 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 45.0 mmtt -84.6 -64.56 1.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.619 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -82.27 -106.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.699 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -176.17 20.2 0.05 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 236' ' ' ILE . . . . . 0.445 ' O ' ' OE1' ' C' ' 241' ' ' GLN . 23.3 mt -98.34 110.06 54.91 Favored Pre-proline 0 C--N 1.331 -0.236 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -64.53 152.96 79.66 Favored 'Trans proline' 0 N--CA 1.489 1.233 0 C-N-CA 121.524 1.483 . . . . 0.0 111.721 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 238' ' ' PRO . . . . . 0.517 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.8 Cg_endo -47.41 -63.57 0.31 Allowed 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.58 2.187 . . . . 0.0 111.947 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -43.47 -19.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.615 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 240' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' C' ' 238' ' ' PRO . 29.6 mt-30 -110.18 33.97 4.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.54 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 241' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' C' ' 238' ' ' PRO . 32.9 mt-30 -134.44 162.67 31.59 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.997 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 242' ' ' ARG . . . . . 0.716 HH22 ' HE ' ' C' ' 272' ' ' ARG . 5.3 mtt85 -162.56 98.12 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.852 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 12.8 mt -82.1 127.63 33.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.044 0.45 . . . . 0.0 111.08 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 244' ' ' ILE . . . . . 0.523 HG22 ' SG ' ' D' ' 331' ' ' CYS . 1.6 mt -128.75 125.21 62.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.129 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 245' ' ' PHE . . . . . 0.524 ' CE1' ' OD2' ' A' ' 25' ' ' ASP . 82.6 t80 -115.79 74.37 0.89 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.031 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 246' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' C' ' 245' ' ' PHE . . . 70.57 88.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 247' ' ' GLY . . . . . 0.633 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 42.84 26.97 0.51 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.134 -0.787 . . . . 0.0 111.134 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 21.7 mmtm -131.58 95.39 3.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.723 0.297 . . . . 0.0 110.54 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 249' ' ' GLN . . . . . 0.583 HE22 ' HE ' ' C' ' 242' ' ' ARG . 42.7 tt0 -71.86 120.89 18.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.084 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 12.0 mt -80.01 131.13 35.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.798 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -77.69 160.76 28.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.487 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 252' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' C' ' 252' ' ' ASP . 0.3 OUTLIER -81.81 -28.95 32.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.806 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -96.84 39.85 2.7 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 26.1 mmt-85 -139.67 171.54 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 30.1 p -113.61 166.07 11.89 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.878 0.371 . . . . 0.0 110.685 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 50.1 mt -60.22 -40.94 91.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.706 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 257' ' ' SER . . . . . 0.493 ' C ' ' H ' ' C' ' 259' ' ' TYR . 5.0 t -56.22 -33.75 65.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -71.6 16.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.701 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 259' ' ' TYR . . . . . 0.493 ' H ' ' C ' ' C' ' 257' ' ' SER . 63.8 m-85 -140.61 6.59 2.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.555 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 260' ' ' ASN . . . . . 0.518 HD22 ' N ' ' C' ' 260' ' ' ASN . 1.4 m120 58.58 27.96 16.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.739 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 87.1 mt -79.03 102.7 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.511 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 262' ' ' GLN . . . . . 0.689 HE22 HH22 ' A' ' 24' ' ' ARG . 29.0 mt-30 -80.17 -163.84 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.68 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -83.51 157.29 22.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.756 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 60.76 21.31 11.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.718 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 30.2 m -85.99 137.33 32.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.585 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 7.0 m -86.45 157.63 19.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.418 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 7.5 mt -139.01 149.87 45.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.303 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 268' ' ' HIS . . . . . 0.624 ' ND1' ' N ' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -107.16 95.99 6.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.518 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 40.7 tp -82.34 131.54 35.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.455 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 270' ' ' VAL . . . . . 0.458 HG22 HD13 ' D' ' 336' ' ' LEU . 4.9 t -123.18 147.38 27.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.807 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 271' ' ' LEU . . . . . 0.433 ' CB ' ' NH1' ' D' ' 340' ' ' ARG . 0.5 OUTLIER -81.44 97.83 7.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.086 179.641 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 272' ' ' ARG . . . . . 0.716 ' HE ' HH22 ' C' ' 242' ' ' ARG . 68.3 ttt180 -62.69 117.2 5.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.622 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 273' ' ' LEU . . . . . 0.492 HD13 ' CD1' ' D' ' 343' ' ' PHE . 11.0 mt -88.57 -178.31 5.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.59 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 32.2 mtt-85 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.55 -179.943 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.832 0.349 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.91 92.89 4.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.655 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 18.8 mt -99.12 32.7 2.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.464 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 13.2 t -79.25 2.28 21.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.683 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 317' ' ' LYS . . . . . 0.498 ' NZ ' ' CB ' ' D' ' 317' ' ' LYS . 5.3 mtmp? -139.0 63.0 1.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.714 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -128.09 163.22 25.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.41 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -103.79 160.26 14.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.656 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -58.44 -51.38 70.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.607 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.64 95.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.742 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -53.35 -49.31 67.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.62 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 323' ' ' LEU . . . . . 0.522 HD21 ' CD ' ' D' ' 342' ' ' GLU . 13.0 mt -62.65 -56.95 13.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.589 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 324' ' ' ARG . . . . . 0.679 ' NH2' HH21 ' C' ' 242' ' ' ARG . 10.0 tpt85 -53.05 -48.09 67.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.524 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 325' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' D' ' 329' ' ' THR . 1.1 m-20 -58.89 -49.78 76.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.401 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 326' ' ' THR . . . . . 0.507 ' O ' ' N ' ' D' ' 330' ' ' SER . 93.8 m -51.59 -43.94 62.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.497 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 90.6 mt -71.83 -29.1 32.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.517 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 328' ' ' ASN . . . . . 0.517 HD21 ' CZ ' ' D' ' 324' ' ' ARG . 42.0 m-80 -96.99 2.42 51.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.524 ' N ' ' O ' ' D' ' 325' ' ' ASP . 75.8 p -131.87 -17.14 2.83 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.966 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 330' ' ' SER . . . . . 0.507 ' N ' ' O ' ' D' ' 326' ' ' THR . 1.6 t -111.44 165.75 11.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.97 0.414 . . . . 0.0 110.913 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 331' ' ' CYS . . . . . 0.633 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 29.4 t -134.8 25.48 3.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.344 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 332' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' D' ' 333' ' ' ILE . 11.6 m-20 -87.66 91.61 8.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.331 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . 0.701 ' HA ' HD12 ' D' ' 336' ' ' LEU . 3.2 mt -38.66 -38.57 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.731 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 334' ' ' GLU . . . . . 0.626 ' CD ' ' H ' ' D' ' 334' ' ' GLU . 3.6 mp0 -58.46 -58.92 6.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.272 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 335' ' ' LEU . . . . . 0.485 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 11.9 mt -58.01 -43.02 86.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.047 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 336' ' ' LEU . . . . . 0.701 HD12 ' HA ' ' D' ' 333' ' ' ILE . 77.0 mt -52.73 -44.78 66.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.447 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -66.44 -49.22 67.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.276 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -60.61 -41.34 94.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.249 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 339' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 76.4 m -61.83 -53.81 50.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.083 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 340' ' ' ARG . . . . . 0.498 ' O ' ' CD2' ' D' ' 344' ' ' HIS . 10.4 mtp85 -53.09 -40.28 63.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.185 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -59.46 -61.05 2.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.632 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 342' ' ' GLU . . . . . 0.522 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.6 pt-20 -62.51 -36.54 82.88 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.417 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 343' ' ' PHE . . . . . 0.492 ' CD1' HD13 ' C' ' 273' ' ' LEU . 10.6 t80 -63.66 -33.38 75.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.063 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 344' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' D' ' 340' ' ' ARG . 37.3 m170 -73.69 -45.57 51.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.433 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 62.0 mtp85 -58.63 -43.77 89.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.561 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 14.2 mtp85 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.807 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.768 0.318 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -79.62 92.95 5.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.503 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.5 mt -95.6 37.01 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.595 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.3 p -86.31 18.47 3.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.673 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.6 mttp -147.2 40.88 1.06 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.619 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -110.38 168.98 9.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.514 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -123.86 155.38 38.14 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.371 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.519 ' OH ' ' N ' ' B' ' 176' ' ' GLY . 54.7 t80 -45.45 -54.32 7.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.581 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.64 -50.0 66.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.748 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -53.62 -58.27 7.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.799 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.55 HD21 ' CD ' ' A' ' 42' ' ' GLU . 14.0 mt -57.25 -57.06 14.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.784 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.516 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 5.1 tpt180 -53.05 -44.98 67.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.632 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 29' ' ' THR . 12.8 m-20 -60.86 -49.52 77.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.451 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.475 ' O ' ' CB ' ' A' ' 30' ' ' SER . 26.3 m -55.31 -41.42 72.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.556 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.7 mt -77.02 -22.51 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.667 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.601 HD22 ' N ' ' A' ' 28' ' ' ASN . 0.9 OUTLIER -96.7 -4.95 39.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.138 -179.596 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 25' ' ' ASP . 41.3 p -131.05 -36.34 1.33 Allowed 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.011 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 26' ' ' THR . 0.4 OUTLIER -86.95 155.96 19.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.987 0.422 . . . . 0.0 111.134 -179.501 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.566 ' SG ' ' CG ' ' B' ' 168' ' ' HIS . 33.4 t -128.47 30.25 5.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.217 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 33' ' ' ILE . 6.7 m-20 -91.58 92.71 8.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.455 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.656 ' HA ' HD12 ' A' ' 36' ' ' LEU . 2.6 mt -38.64 -41.31 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.882 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -56.07 -58.87 6.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.265 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.6 mt -58.78 -46.03 88.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.031 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 33' ' ' ILE . 62.0 mt -50.43 -45.01 55.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.177 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.29 -49.12 73.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.259 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.35 -42.66 92.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.26 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 72.6 m -62.66 -53.54 52.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.134 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.3 mtp85 -52.85 -38.67 61.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.155 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.37 -60.82 3.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.711 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.55 ' CD ' HD21 ' A' ' 23' ' ' LEU . 4.1 pt-20 -62.53 -36.37 82.37 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.696 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.515 ' CD1' HD13 ' B' ' 173' ' ' LEU . 13.1 t80 -60.44 -41.4 93.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.405 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -74.31 -55.24 6.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.48 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.422 ' O ' HG12 ' A' ' 49' ' ' VAL . 88.9 mtt180 -45.88 -44.07 14.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.496 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 64.1 mtt-85 -55.04 -28.06 49.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.483 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.8 mt -93.43 -53.71 3.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.544 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.466 ' C ' ' H ' ' A' ' 50' ' ' TYR . 78.2 tttt -51.78 -39.78 59.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.666 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 49' ' ' VAL . 7.6 p -62.86 0.38 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.498 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.466 ' H ' ' C ' ' A' ' 48' ' ' LYS . 39.1 t80 -113.1 44.5 1.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.531 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.522 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 12.8 t-80 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.534 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.546 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -83.75 113.94 21.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.414 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 17.7 pt -103.99 142.39 17.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.691 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -95.67 129.91 42.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.636 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.446 HG23 HD23 ' B' ' 115' ' ' LEU . 94.7 t -112.68 108.62 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.028 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -82.26 130.35 35.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.752 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 66.6 p -98.5 -178.11 3.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.365 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.923 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.7 OUTLIER -81.32 -26.63 35.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.383 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 7.3 p -81.52 7.4 12.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.52 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.02 1.33 89.89 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -84.24 125.67 32.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.815 0.341 . . . . 0.0 110.613 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.6 m -101.37 150.45 23.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.353 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 5.9 mt -132.75 132.65 59.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.565 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . 0.508 ' C ' HD22 ' B' ' 115' ' ' LEU . 8.8 m -98.42 105.82 18.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.573 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.838 HD22 ' N ' ' B' ' 115' ' ' LEU . 2.0 mm? -102.25 129.18 48.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.636 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -82.95 118.96 23.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.782 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . 0.546 ' O ' ' N ' ' B' ' 101' ' ' MET . 11.5 m -146.28 -159.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.218 0.532 . . . . 0.0 111.293 -179.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.637 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 2.2 mt-10 -150.5 170.97 6.94 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . 0.415 ' O ' ' OG ' ' B' ' 157' ' ' SER . 3.5 Cg_exo -71.37 -4.82 15.72 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.121 1.881 . . . . 0.0 112.397 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.9 p -109.16 3.4 21.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.738 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . 0.637 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 0.4 OUTLIER -77.27 139.15 39.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.416 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 18.7 p -84.96 137.36 33.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.933 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 25.9 mm -45.55 -50.01 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.265 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -49.46 -40.36 36.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.257 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.92 -40.77 98.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.085 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 42.5 t -62.43 -42.96 97.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.04 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' B' ' 141' ' ' GLN . 85.5 mttt -58.52 -37.88 76.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.307 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.87 -43.62 92.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.344 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -59.46 -51.52 69.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.433 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 69.3 mt -56.46 -46.79 82.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.345 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . 0.429 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.7 OUTLIER -53.99 -32.26 53.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.123 179.713 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -70.23 -38.39 75.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.348 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -71.26 -62.92 1.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.216 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -82.55 -116.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.603 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -165.08 9.51 0.07 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 53.3 mt -79.86 117.02 65.25 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.57 152.57 67.5 Favored 'Trans proline' 0 C--N 1.314 -1.264 0 C-N-CA 121.475 1.45 . . . . 0.0 111.56 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.492 ' O ' ' N ' ' B' ' 140' ' ' GLN . 2.7 Cg_endo -47.03 -67.78 0.11 Allowed 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.567 2.178 . . . . 0.0 112.013 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.1 -21.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' B' ' 138' ' ' PRO . 26.7 mt-30 -105.36 34.21 3.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.774 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' B' ' 138' ' ' PRO . 63.8 mt-30 -134.54 96.81 3.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.894 0.378 . . . . 0.0 110.673 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . 0.529 HH11 ' CD ' ' B' ' 149' ' ' GLN . 29.7 ttm-85 -101.62 112.57 25.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.248 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 15.5 mt -92.62 132.31 36.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.722 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . 0.475 HG22 ' SG ' ' A' ' 31' ' ' CYS . 1.6 mt -127.3 143.66 39.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.457 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . 0.422 ' O ' ' HB3' ' B' ' 146' ' ' ALA . 60.7 t80 -149.17 105.41 3.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.713 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' B' ' 145' ' ' PHE . . . 65.56 70.57 0.44 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.78 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 39.9 44.82 2.79 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -150.07 120.15 7.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.837 0.351 . . . . 0.0 110.652 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . 0.529 ' CD ' HH11 ' B' ' 142' ' ' ARG . 8.0 tt0 -80.45 124.33 28.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.988 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 10.3 mt -75.98 139.37 41.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.952 0.406 . . . . 0.0 110.847 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -79.32 160.44 26.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.626 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.11 -24.13 24.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.719 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -100.42 40.65 2.36 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -139.52 172.5 12.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.702 0.287 . . . . 0.0 110.373 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 11.6 p -109.86 168.33 9.5 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.738 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . 0.435 ' CD1' HG21 ' B' ' 117' ' ' VAL . 81.9 mt -65.33 -35.8 82.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.744 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' B' ' 119' ' ' PRO . 5.0 p -60.42 -44.38 95.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.601 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -48.3 -39.91 23.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.689 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -90.42 21.15 4.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.54 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 45.13 33.39 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 80.8 mt -80.12 110.82 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.37 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -82.57 -161.46 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.73 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -85.71 156.05 20.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 57.26 31.64 20.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.903 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 70.4 m -81.64 140.51 34.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.52 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 5.4 m -91.75 96.07 10.22 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.493 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.2 mt -85.68 124.53 32.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.654 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 168' ' ' HIS . . . . . 0.583 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.4 OUTLIER -79.35 100.46 7.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.383 179.761 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 64.0 tp -81.68 145.33 30.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 0.0 110.749 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 170' ' ' VAL . . . . . 0.4 ' CG2' HD13 ' A' ' 36' ' ' LEU . 2.6 t -145.35 154.99 13.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.198 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.599 HD12 ' N ' ' B' ' 171' ' ' LEU . 7.6 mp -94.09 106.34 18.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.441 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -59.17 106.83 0.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.561 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 173' ' ' LEU . . . . . 0.515 HD13 ' CD1' ' A' ' 43' ' ' PHE . 17.5 mt -81.31 103.9 11.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.478 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 16.0 ptt-85 -44.05 143.37 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.736 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 155.0 -154.87 25.83 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 176' ' ' GLY . . . . . 0.519 ' N ' ' OH ' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 201' ' ' MET . . . . . 0.522 ' N ' ' O ' ' C' ' 217' ' ' VAL . 26.6 ttp . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 202' ' ' GLN . . . . . 0.544 HE22 ' CD ' ' C' ' 216' ' ' GLU . 4.4 mp0 -68.92 130.51 42.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.485 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 11.9 pt -136.05 142.14 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.345 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -94.03 138.55 31.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.784 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 31.9 t -121.89 105.19 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.998 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -82.0 157.05 24.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.681 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 23.7 p -125.88 -174.71 3.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.442 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 208' ' ' LEU . . . . . 0.895 ' H ' HD22 ' C' ' 208' ' ' LEU . 0.8 OUTLIER -79.86 -25.01 40.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.399 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 8.9 p -82.52 2.8 31.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.581 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 84.62 3.84 88.0 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -76.15 162.31 28.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.732 0.301 . . . . 0.0 110.546 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 9.8 m -138.31 151.76 47.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.529 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -138.25 132.86 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.895 0.379 . . . . 0.0 110.646 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 63.8 m -99.24 98.09 9.1 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.42 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 215' ' ' LEU . . . . . 0.517 ' N ' HD12 ' C' ' 215' ' ' LEU . 10.7 mp -99.02 136.79 38.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.711 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 216' ' ' GLU . . . . . 0.544 ' CD ' HE22 ' C' ' 202' ' ' GLN . 81.6 tt0 -93.38 123.8 36.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.09 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 217' ' ' VAL . . . . . 0.522 ' O ' ' N ' ' C' ' 201' ' ' MET . 27.0 m -148.7 -161.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.929 0.395 . . . . 0.0 110.977 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 218' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -139.46 176.52 2.53 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.69 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.16 -26.9 10.22 Favored 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.463 2.108 . . . . 0.0 112.294 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 3.0 p -82.51 -27.04 31.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.821 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 221' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -44.66 135.1 5.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.64 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 60.5 p -85.74 143.84 28.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.82 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 19.9 mm -46.47 -58.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.488 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -44.5 -38.1 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.54 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 225' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -65.48 -41.43 93.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.139 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 42.3 t -61.99 -51.99 65.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.979 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -52.7 -32.03 40.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.962 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -68.17 -41.13 81.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.195 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -62.71 -42.27 99.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.267 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 60.4 mt -64.3 -46.48 93.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.232 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 231' ' ' GLN . . . . . 0.426 ' O ' ' OE1' ' C' ' 231' ' ' GLN . 0.6 OUTLIER -56.09 -31.66 63.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.378 179.802 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -75.96 -25.32 55.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.463 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 18.9 mmtm -80.58 -62.25 1.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.513 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -87.56 -108.06 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.56 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -171.93 28.23 0.1 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 236' ' ' ILE . . . . . 0.428 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 38.6 mt -95.48 111.91 57.01 Favored Pre-proline 0 C--N 1.329 -0.294 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -64.26 147.91 91.07 Favored 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 121.517 1.478 . . . . 0.0 111.399 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -48.59 -50.6 12.02 Favored 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 122.196 1.93 . . . . 0.0 111.863 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -53.24 -15.9 1.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.559 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 240' ' ' GLN . . . . . 0.57 HE22 ' H ' ' C' ' 274' ' ' ARG . 36.4 mm-40 -118.47 42.82 2.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.459 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 241' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 67.0 mt-30 -134.51 156.42 48.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.464 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 242' ' ' ARG . . . . . 0.609 HH22 ' NE ' ' C' ' 272' ' ' ARG . 0.2 OUTLIER -166.62 105.04 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.979 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 243' ' ' LEU . . . . . 0.54 HD12 ' N ' ' C' ' 243' ' ' LEU . 6.6 mp -90.3 128.37 36.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.119 0.485 . . . . 0.0 111.183 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.8 mt -125.53 120.02 56.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.283 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 245' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -109.74 71.4 0.76 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.847 0.356 . . . . 0.0 110.909 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 61.18 86.63 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.727 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 247' ' ' GLY . . . . . 0.707 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 56.39 32.31 60.58 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -138.84 88.15 2.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 110.611 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 249' ' ' GLN . . . . . 0.567 ' CD ' ' HE ' ' C' ' 242' ' ' ARG . 12.1 tt0 -74.49 85.88 2.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.026 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 8.9 mt -43.65 137.08 3.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -89.66 158.34 17.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.226 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.85 -1.39 43.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.846 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 253' ' ' GLY . . . . . 0.482 ' O ' ' NE ' ' C' ' 254' ' ' ARG . . . -122.98 37.64 2.74 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 254' ' ' ARG . . . . . 0.482 ' NE ' ' O ' ' C' ' 253' ' ' GLY . 0.0 OUTLIER -134.82 -174.77 3.69 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 255' ' ' THR . . . . . 0.46 ' C ' ' H ' ' C' ' 257' ' ' SER . 41.6 p -127.33 157.17 40.62 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.635 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 256' ' ' LEU . . . . . 0.419 ' CD1' HG21 ' C' ' 217' ' ' VAL . 96.0 mt -58.81 -3.99 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.553 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 257' ' ' SER . . . . . 0.46 ' H ' ' C ' ' C' ' 255' ' ' THR . 11.4 t -94.39 -27.85 15.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.654 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -73.31 12.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.622 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 259' ' ' TYR . . . . . 0.431 ' H ' ' C ' ' C' ' 257' ' ' SER . 69.2 m-85 -140.57 5.78 2.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.521 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 57.12 32.43 21.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.693 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 85.0 mt -77.02 95.83 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.449 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -76.19 -157.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.767 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 10.2 pttm -84.65 160.9 20.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.786 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 56.96 31.51 19.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.804 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 47.7 m -86.66 133.61 33.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.569 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 10.7 m -90.48 101.19 13.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.434 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 10.5 mt -89.03 121.95 31.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.641 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 268' ' ' HIS . . . . . 0.66 ' ND1' ' N ' ' C' ' 268' ' ' HIS . 0.1 OUTLIER -77.2 99.16 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.913 179.563 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 51.6 tp -79.27 133.8 36.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.865 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 270' ' ' VAL . . . . . 0.438 ' C ' HD22 ' C' ' 271' ' ' LEU . 2.2 t -137.31 164.69 28.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.128 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 271' ' ' LEU . . . . . 0.904 HD22 ' N ' ' C' ' 271' ' ' LEU . 1.1 mm? -104.37 116.29 31.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.42 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 272' ' ' ARG . . . . . 0.609 ' NE ' HH22 ' C' ' 242' ' ' ARG . 48.7 ttt180 -69.97 71.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.459 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 273' ' ' LEU . . . . . 0.429 HD21 HH21 ' D' ' 340' ' ' ARG . 48.4 mt -43.14 118.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.552 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 274' ' ' ARG . . . . . 0.57 ' H ' HE22 ' C' ' 240' ' ' GLN . 25.3 ptt180 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.547 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 N--CA 1.461 0.096 0 CA-C-O 120.825 0.345 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -81.95 92.98 6.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.605 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 14.6 mt -89.11 42.23 1.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.464 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 59.9 m -76.6 12.99 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.67 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 29.1 pttt -163.29 84.58 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.944 0.402 . . . . 0.0 110.687 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -138.91 164.76 28.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.267 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -106.93 163.02 13.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.606 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -66.15 -47.77 72.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.418 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 321' ' ' ALA . . . . . 0.425 ' O ' ' OD2' ' D' ' 325' ' ' ASP . . . -62.4 -35.26 78.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.519 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -67.05 -55.42 14.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.611 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 323' ' ' LEU . . . . . 0.484 HD21 ' CD ' ' D' ' 342' ' ' GLU . 13.0 mt -54.76 -54.41 42.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.52 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 324' ' ' ARG . . . . . 0.426 ' NH1' HD21 ' D' ' 328' ' ' ASN . 0.7 OUTLIER -54.34 -50.22 67.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.467 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 325' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' D' ' 329' ' ' THR . 23.4 m-20 -59.23 -48.61 80.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.371 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 326' ' ' THR . . . . . 0.488 ' O ' ' N ' ' D' ' 330' ' ' SER . 8.4 m -51.78 -43.62 63.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.545 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 83.7 mt -76.47 -24.71 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.692 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 328' ' ' ASN . . . . . 0.426 HD21 ' NH1' ' D' ' 324' ' ' ARG . 2.2 m-80 -98.53 2.21 47.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.508 ' N ' ' O ' ' D' ' 325' ' ' ASP . 81.7 p -137.31 -41.66 0.57 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.684 0.278 . . . . 0.0 111.158 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 330' ' ' SER . . . . . 0.488 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.4 OUTLIER -77.79 169.75 17.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.032 0.444 . . . . 0.0 111.144 -179.321 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 331' ' ' CYS . . . . . 0.707 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 27.9 p -147.27 89.33 1.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.514 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -163.1 99.55 0.96 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.346 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 1.9 mt -38.78 -43.28 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.775 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -56.09 -58.97 5.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.314 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.92 -52.14 66.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.183 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 27.5 mt -50.41 -47.25 56.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.472 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -59.22 -49.16 78.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.427 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.37 -43.84 93.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.538 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 339' ' ' CYS . . . . . . . . . . . . . 94.7 m -58.49 -49.61 76.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.54 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 340' ' ' ARG . . . . . 0.593 ' NH2' ' NE2' ' D' ' 344' ' ' HIS . 19.4 mtp-105 -64.61 -35.17 80.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.511 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -59.26 -56.38 22.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.255 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 342' ' ' GLU . . . . . 0.484 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.8 pt-20 -63.14 -35.03 78.94 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.249 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -58.02 -55.85 29.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.087 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 344' ' ' HIS . . . . . 0.593 ' NE2' ' NH2' ' D' ' 340' ' ' ARG . 11.5 m-70 -58.78 -46.15 88.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.2 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -40.13 62.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.106 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 10.1 mtp85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.487 -179.97 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.736 0.303 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -126.13 92.93 3.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.497 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.5 mt -97.1 44.6 1.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.476 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.0 p -85.38 11.62 9.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.9 pttp -165.53 82.69 0.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.641 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -130.24 175.91 8.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.288 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -117.64 163.82 15.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.646 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 15.6 t80 -62.12 -49.84 74.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.551 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.81 -44.17 96.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.703 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -56.15 -55.52 32.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.687 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.525 HD21 ' CD ' ' A' ' 42' ' ' GLU . 13.8 mt -57.75 -52.54 65.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.543 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.663 ' NH1' HD21 ' A' ' 28' ' ' ASN . 7.6 tpt85 -57.66 -42.71 84.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.438 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -64.21 -48.2 76.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.349 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.571 ' O ' ' N ' ' A' ' 30' ' ' SER . 25.7 m -54.28 -49.05 70.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.635 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.4 mt -71.58 -27.7 29.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.928 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.663 HD21 ' NH1' ' A' ' 24' ' ' ARG . 1.0 OUTLIER -87.41 -8.6 56.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.052 -179.567 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 64.5 p -127.45 -49.39 1.41 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.66 0.267 . . . . 0.0 111.148 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 26' ' ' THR . 2.0 t -60.72 167.61 2.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.971 0.415 . . . . 0.0 110.958 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.4 m -144.26 36.87 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.376 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.51 100.6 9.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.6 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.4 mt -42.22 -34.15 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.509 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -63.21 -56.02 20.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.177 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.492 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 9.1 mt -60.91 -41.04 95.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.085 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.0 mt -57.01 -43.31 81.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.447 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.18 -49.2 68.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.508 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.41 -45.34 93.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.537 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 73.2 m -59.82 -50.52 73.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.357 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 -60.26 -34.8 74.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.498 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -63.09 -58.28 7.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.738 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.525 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.7 pt-20 -59.5 -36.81 76.77 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.692 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.27 -45.17 94.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.383 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 47' ' ' LEU . 17.0 m170 -72.72 -54.98 7.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.392 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 86.0 mtt-85 -45.76 -48.82 15.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.608 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 67.0 mtt-85 -61.34 -20.76 63.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.688 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 44' ' ' HIS . 85.7 mt -97.4 -32.7 11.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.667 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -77.91 -29.67 50.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.662 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.413 ' O ' HG13 ' A' ' 49' ' ' VAL . 7.2 p -41.93 128.69 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.591 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 17.3 t80 69.21 67.58 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.457 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.576 179.938 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.542 ' N ' ' O ' ' B' ' 117' ' ' VAL . 28.4 ttp . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . 0.404 ' N ' ' CG ' ' B' ' 101' ' ' MET . 34.1 tt0 -126.62 127.76 45.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.424 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.562 HD12 ' CD1' ' B' ' 167' ' ' LEU . 13.8 pt -127.37 151.94 34.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.682 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -102.99 147.72 26.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.567 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 22.5 t -128.34 106.99 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.344 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -97.22 128.58 44.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.439 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 24.5 p -88.65 -165.17 1.26 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.52 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.967 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.5 OUTLIER -83.08 -19.24 37.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 19.0 p -88.12 -5.47 58.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.497 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.01 9.32 62.41 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -79.71 122.7 26.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 110.486 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 19.2 m -99.81 144.91 28.33 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.621 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -133.71 123.8 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.396 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . 0.403 ' C ' HD12 ' B' ' 115' ' ' LEU . 5.8 m -88.29 101.67 14.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.597 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.448 HD12 ' N ' ' B' ' 115' ' ' LEU . 11.1 mp -104.46 132.09 51.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.65 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -88.14 125.14 34.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.078 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' B' ' 101' ' ' MET . 11.7 m -147.16 -170.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.944 0.402 . . . . 0.0 110.886 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.431 ' N ' ' OD2' ' B' ' 121' ' ' ASP . 13.9 mp0 -139.2 146.94 51.22 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.892 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -47.18 -30.8 11.13 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 122.382 2.055 . . . . 0.0 112.454 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.5 p -87.19 18.17 3.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.193 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . 0.431 ' OD2' ' N ' ' B' ' 118' ' ' GLU . 55.9 m-20 -92.59 136.26 33.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 0.0 110.356 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . 0.528 ' OG1' ' ND2' ' B' ' 125' ' ' ASN . 3.7 p -82.61 138.62 34.15 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.945 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 35.2 mm -46.71 -37.24 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.258 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -58.09 -46.81 84.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.039 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.528 ' ND2' ' OG1' ' B' ' 122' ' ' THR . 60.5 m-80 -60.06 -36.01 76.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.069 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 26.7 t -64.61 -46.7 91.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.165 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -55.64 -36.81 67.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.038 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.55 -40.48 89.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.239 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -60.86 -41.74 96.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.361 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 52.1 mt -66.63 -44.84 89.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.334 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . 0.403 ' OE1' ' C ' ' B' ' 131' ' ' GLN . 0.9 OUTLIER -55.5 -33.2 63.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.386 179.885 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -74.75 -35.42 62.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.492 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -70.35 -61.89 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -87.35 -106.0 0.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.531 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -173.71 9.45 0.03 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.416 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 42.7 mt -79.71 116.18 59.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.96 152.32 75.87 Favored 'Trans proline' 0 C--N 1.314 -1.251 0 C-N-CA 121.553 1.502 . . . . 0.0 111.588 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.478 ' O ' ' N ' ' B' ' 140' ' ' GLN . 2.6 Cg_endo -47.83 -62.52 0.43 Allowed 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.433 2.088 . . . . 0.0 111.885 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -44.83 -17.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.718 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' B' ' 138' ' ' PRO . 26.0 mt-30 -110.98 35.65 3.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.669 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' B' ' 138' ' ' PRO . 70.4 mt-30 -134.43 148.24 50.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.559 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . 0.529 HH12 ' CG ' ' A' ' 28' ' ' ASN . 22.5 ttt180 -159.63 115.08 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.25 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.2 mt -95.51 138.26 33.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.6 mt -127.39 141.24 46.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.296 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -162.88 152.55 15.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.633 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 58.73 20.81 8.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.06 23.77 70.81 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -145.78 147.22 31.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.815 0.34 . . . . 0.0 110.778 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . 0.521 ' NE2' ' O ' ' B' ' 150' ' ' LEU . 3.1 tm0? -79.5 136.57 36.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.212 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.521 ' O ' ' NE2' ' B' ' 149' ' ' GLN . 11.7 mt -81.47 139.64 35.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.845 0.355 . . . . 0.0 110.891 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . 0.418 ' OE2' ' OD1' ' C' ' 260' ' ' ASN . 22.3 mm-40 -80.69 160.4 25.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.572 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' B' ' 152' ' ' ASP . 0.0 OUTLIER -86.6 -15.97 38.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.659 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -107.05 36.94 4.08 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 20.7 mmt-85 -139.71 169.13 18.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.671 0.272 . . . . 0.0 110.396 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 18.8 p -110.15 162.11 14.91 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.723 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 43.4 mt -60.24 -27.61 67.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.739 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 15.8 p -68.31 -42.56 79.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.798 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -52.73 -32.94 45.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.708 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -91.16 2.89 56.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.731 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' B' ' 160' ' ' ASN . 1.7 t30 62.15 26.65 16.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.666 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 71.1 mt -72.95 112.01 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.464 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -91.16 -169.03 2.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.612 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . 0.442 ' HD3' ' H ' ' B' ' 163' ' ' ARG . 0.0 OUTLIER -73.27 155.96 38.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.735 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 61.29 32.82 19.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.815 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 38.2 m -88.98 130.99 35.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.597 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 21.0 m -88.49 111.25 21.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.613 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . 0.562 ' CD1' HD12 ' B' ' 103' ' ' ILE . 4.9 mt -100.62 131.05 46.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.604 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 168' ' ' HIS . . . . . 0.667 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -84.86 112.95 21.0 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.817 0.341 . . . . 0.0 110.216 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 43.0 tp -89.93 131.46 35.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.416 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.27 140.33 43.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.324 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.637 HD12 ' N ' ' B' ' 171' ' ' LEU . 8.3 mp -77.05 104.56 7.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.527 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -63.04 95.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.516 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 173' ' ' LEU . . . . . 0.404 ' H ' ' HG ' ' B' ' 173' ' ' LEU . 29.1 mt -59.55 125.15 22.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.488 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 13.9 ttp-105 -44.4 139.85 2.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.579 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 167.6 124.2 0.71 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.637 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 201' ' ' MET . . . . . 0.537 ' N ' ' O ' ' C' ' 217' ' ' VAL . 31.7 ttp . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -67.49 123.74 21.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.625 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 17.9 pt -132.1 149.51 32.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.577 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -100.66 146.38 27.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.744 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 98.5 t -134.36 105.0 6.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.215 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -83.44 137.33 33.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.952 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 33.0 p -95.44 -167.29 1.59 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.425 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 208' ' ' LEU . . . . . 0.968 ' H ' HD22 ' C' ' 208' ' ' LEU . 0.3 OUTLIER -88.48 21.75 2.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.485 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 5.4 p -136.53 9.88 3.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.506 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 89.6 -31.41 5.23 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -46.16 135.14 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.347 . . . . 0.0 110.526 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 33.8 m -115.1 126.18 54.36 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.597 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 213' ' ' ILE . . . . . 0.408 HG21 HD13 ' C' ' 213' ' ' ILE . 1.5 mt -106.96 125.05 63.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.635 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 8.8 m -95.45 118.66 32.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.091 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 19.2 mt -128.35 136.31 50.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.941 0.401 . . . . 0.0 110.897 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -88.91 131.49 35.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.051 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 217' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' C' ' 201' ' ' MET . 33.4 m -149.37 -168.84 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 0.0 110.851 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 218' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -141.12 147.44 47.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.89 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.46 -28.38 8.59 Favored 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.406 2.071 . . . . 0.0 112.489 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.61 8.63 18.76 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.149 -179.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 221' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -83.23 135.24 34.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.809 0.338 . . . . 0.0 110.384 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 9.1 p -84.37 138.07 33.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.881 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 23.4 mm -45.42 -48.24 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.294 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -51.67 -37.74 51.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.117 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 225' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -64.79 -43.0 94.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.007 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 18.5 t -60.83 -38.31 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.926 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -62.02 -39.77 93.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.134 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -62.33 -44.97 95.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.131 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -59.47 -42.85 93.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.191 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 32.9 mt -64.24 -29.35 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.224 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -68.26 -41.21 81.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.141 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -67.91 -26.88 66.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.368 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm -80.14 -61.83 1.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.56 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -87.12 -99.48 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.588 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 172.98 13.05 0.02 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 236' ' ' ILE . . . . . 0.516 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 55.1 mt -82.93 129.01 63.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -55.77 145.78 70.04 Favored 'Trans proline' 0 N--CA 1.489 1.256 0 C-N-CA 121.621 1.547 . . . . 0.0 111.615 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -52.25 -32.77 52.15 Favored 'Trans proline' 0 C--N 1.311 -1.422 0 C-N-CA 122.108 1.872 . . . . 0.0 111.876 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 239' ' ' ASP . . . . . 0.482 ' C ' ' H ' ' C' ' 241' ' ' GLN . 2.5 m-20 -69.02 -52.3 30.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.71 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 240' ' ' GLN . . . . . 0.499 ' OE1' ' N ' ' C' ' 240' ' ' GLN . 1.7 mp0 -72.13 37.48 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.687 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 241' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 69.9 mt-30 -134.77 157.98 45.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.971 0.415 . . . . 0.0 110.821 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 242' ' ' ARG . . . . . 0.416 ' O ' HD12 ' C' ' 269' ' ' LEU . 21.5 ttm180 -170.27 154.45 4.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.953 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 15.0 mt -129.73 142.98 50.61 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.143 0.497 . . . . 0.0 111.405 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.8 mt -128.67 134.57 64.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.823 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 245' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -119.51 74.08 0.99 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.858 0.361 . . . . 0.0 110.993 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 246' ' ' ALA . . . . . 0.653 ' H ' ' HE2' ' C' ' 268' ' ' HIS . . . 55.23 87.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.059 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 247' ' ' GLY . . . . . 0.71 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 55.8 38.43 73.38 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -150.96 91.68 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.704 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -71.18 122.99 21.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.054 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 9.2 mt -84.18 131.47 34.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 110.859 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -82.53 161.04 22.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.582 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.9 -22.26 56.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -103.56 41.48 2.12 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -139.62 175.19 9.78 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 31.1 p -117.72 165.53 13.51 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.701 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.17 -17.68 64.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.763 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 257' ' ' SER . . . . . 0.496 ' C ' ' H ' ' C' ' 259' ' ' TYR . 61.5 p -79.16 -30.6 43.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.625 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -69.82 13.21 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.582 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 259' ' ' TYR . . . . . 0.539 ' C ' HD22 ' C' ' 260' ' ' ASN . 82.3 m-85 -140.65 8.67 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.649 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 260' ' ' ASN . . . . . 0.539 HD22 ' C ' ' C' ' 259' ' ' TYR . 0.7 OUTLIER 56.19 31.87 19.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.61 179.865 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 79.6 mt -79.6 95.36 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.512 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -77.79 -157.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.567 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -81.82 162.15 22.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.692 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 55.51 37.96 29.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.8 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 39.4 m -95.96 131.0 42.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.542 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 7.6 m -92.98 112.83 24.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.553 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 6.6 mt -103.65 150.05 24.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.585 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 268' ' ' HIS . . . . . 0.696 ' ND1' ' N ' ' C' ' 268' ' ' HIS . 0.0 OUTLIER -98.52 113.54 25.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.134 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 269' ' ' LEU . . . . . 0.416 HD12 ' O ' ' C' ' 242' ' ' ARG . 35.7 tp -85.41 127.63 34.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.234 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 270' ' ' VAL . . . . . 0.627 HG13 ' CZ ' ' D' ' 340' ' ' ARG . 2.5 t -128.76 155.08 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.564 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 271' ' ' LEU . . . . . . . . . . . . . 12.9 mt -95.9 98.35 10.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.489 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -49.25 117.63 2.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.589 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 273' ' ' LEU . . . . . 0.508 HD13 ' CD1' ' D' ' 343' ' ' PHE . 20.5 mt -98.24 106.34 18.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.46 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 . . . . . 0 C--N 1.332 -0.178 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.38 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 . . . . . 0 N--CA 1.461 0.091 0 CA-C-O 120.809 0.338 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 314' ' ' ASP . . . . . 0.492 ' N ' ' OD1' ' D' ' 314' ' ' ASP . 17.1 p-10 -79.06 93.01 5.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.412 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 15.0 mt -110.84 39.95 2.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.585 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 81.2 p -96.05 18.74 12.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.792 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -138.86 3.68 2.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.774 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -75.47 -177.39 3.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.676 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -132.79 167.66 19.76 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.482 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 320' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' D' ' 320' ' ' TYR . 7.3 t80 -58.13 -48.17 81.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.662 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -59.52 -46.52 88.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.02 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -61.36 -53.74 52.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.105 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 323' ' ' LEU . . . . . 0.563 HD21 ' CD ' ' D' ' 342' ' ' GLU . 16.3 mt -59.96 -52.55 64.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.041 -179.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 324' ' ' ARG . . . . . 0.433 ' O ' ' ND2' ' D' ' 328' ' ' ASN . 1.2 tpt180 -52.82 -44.8 66.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.453 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 325' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' D' ' 329' ' ' THR . 25.9 t70 -63.77 -48.04 78.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.344 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 326' ' ' THR . . . . . 0.52 ' O ' ' N ' ' D' ' 330' ' ' SER . 3.7 m -52.92 -41.51 64.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.565 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 327' ' ' ILE . . . . . 0.417 HD11 ' CB ' ' D' ' 339' ' ' CYS . 94.8 mt -75.68 -30.22 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.515 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 328' ' ' ASN . . . . . 0.614 HD22 ' N ' ' D' ' 328' ' ' ASN . 0.9 OUTLIER -92.24 -0.45 57.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.926 -179.794 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.463 ' N ' ' O ' ' D' ' 325' ' ' ASP . 82.5 p -131.79 -46.8 0.95 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.072 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 330' ' ' SER . . . . . 0.52 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.4 OUTLIER -74.34 157.03 36.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.014 0.435 . . . . 0.0 111.141 -179.366 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 331' ' ' CYS . . . . . 0.71 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 25.4 p -135.92 88.08 2.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.527 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -162.27 99.15 1.05 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.999 0.428 . . . . 0.0 110.48 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . 0.415 ' H ' HG13 ' D' ' 333' ' ' ILE . 9.8 mt -38.93 -31.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.771 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -67.8 -59.94 2.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.505 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 3.9 mt -61.84 -49.59 75.68 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 336' ' ' LEU . . . . . 0.673 ' CB ' HH22 ' D' ' 340' ' ' ARG . 49.8 mt -50.55 -55.01 18.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.088 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 337' ' ' ALA . . . . . 0.465 ' N ' ' NH2' ' D' ' 340' ' ' ARG . . . -55.34 -44.72 76.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.038 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -56.71 -39.72 74.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.729 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 339' ' ' CYS . . . . . 0.417 ' CB ' HD11 ' D' ' 327' ' ' ILE . 24.2 m -60.05 -53.45 57.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.798 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 340' ' ' ARG . . . . . 0.687 HH21 HD12 ' C' ' 208' ' ' LEU . 0.1 OUTLIER -51.12 -46.17 61.82 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.014 179.445 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -55.11 -60.54 3.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.141 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 342' ' ' GLU . . . . . 0.563 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.8 pt-20 -66.01 -39.86 90.61 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.885 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 343' ' ' PHE . . . . . 0.508 ' CD1' HD13 ' C' ' 273' ' ' LEU . 12.5 t80 -62.02 -33.08 73.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.421 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -81.79 -48.23 11.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.115 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -51.13 -41.36 60.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.998 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.503 179.871 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.54 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.795 0.331 . . . . 0.0 110.582 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -79.09 92.9 5.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.565 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.452 HD13 ' OE1' ' A' ' 42' ' ' GLU . 16.8 mt -95.8 44.42 1.08 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.368 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.6 t -82.62 14.3 3.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.735 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 pttp -170.55 84.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.757 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -133.04 162.72 30.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.159 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -106.37 161.59 14.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.691 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.426 ' OH ' ' N ' ' B' ' 176' ' ' GLY . 18.8 t80 -59.35 -50.91 72.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.41 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.77 -47.74 79.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.761 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -55.27 -58.2 8.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.8 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.576 HD21 ' CD ' ' A' ' 42' ' ' GLU . 15.3 mt -53.31 -58.84 5.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.604 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.528 HH12 ' C ' ' B' ' 173' ' ' LEU . 10.5 tpt180 -53.01 -51.67 60.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.508 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 29' ' ' THR . 7.7 m-20 -55.46 -50.03 70.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.522 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.612 ' O ' ' N ' ' A' ' 30' ' ' SER . 14.9 m -52.38 -54.08 36.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.821 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.401 HG12 HD23 ' A' ' 36' ' ' LEU . 78.1 mt -64.93 -24.15 34.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.683 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.715 HD21 HH12 ' B' ' 142' ' ' ARG . 0.8 OUTLIER -92.4 -9.77 40.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.346 -179.331 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 25' ' ' ASP . 18.9 p -130.44 -3.93 4.29 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.972 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.612 ' N ' ' O ' ' A' ' 26' ' ' THR . 4.3 t -116.17 150.54 37.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.067 0.461 . . . . 0.0 110.953 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.4 p -122.94 18.0 10.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.103 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -79.26 95.88 5.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.813 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.444 ' N ' HD13 ' A' ' 33' ' ' ILE . 4.9 mm -42.29 -39.74 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.534 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.645 ' CD ' ' H ' ' A' ' 34' ' ' GLU . 5.6 mp0 -57.89 -58.75 7.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.26 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.485 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 12.8 mt -58.55 -39.81 81.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.314 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.469 HD13 HG21 ' B' ' 170' ' ' VAL . 90.8 mt -56.14 -43.26 78.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.358 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.96 -49.16 54.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.518 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.31 -46.52 89.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.449 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 72.3 m -59.32 -53.24 60.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.178 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.6 mtp85 -53.96 -39.88 66.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.328 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -60.21 -57.81 11.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.61 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.576 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.2 pt-20 -62.58 -36.12 81.7 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.458 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.427 ' O ' HD23 ' A' ' 47' ' ' LEU . 3.5 t80 -62.63 -38.9 92.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.133 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -68.83 -47.7 65.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.256 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.542 ' O ' ' N ' ' A' ' 49' ' ' VAL . 47.6 mtm180 -54.01 -51.14 64.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.511 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.4 mtp85 -55.95 -26.89 49.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.742 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 43' ' ' PHE . 3.4 mm? -86.72 -58.53 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.457 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.437 ' C ' ' H ' ' A' ' 50' ' ' TYR . 53.2 mttm -69.72 -46.0 66.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.755 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.542 ' N ' ' O ' ' A' ' 45' ' ' ARG . 3.5 t 63.32 1.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.515 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.519 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 2.7 m-85 -87.98 74.97 8.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.301 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 50' ' ' TYR . 76.0 m80 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.495 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.539 ' N ' ' O ' ' B' ' 117' ' ' VAL . 35.1 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -106.76 137.85 44.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.5 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 20.4 pt -144.6 152.34 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.618 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -102.28 158.17 16.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.723 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 97.3 t -144.63 111.33 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.393 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -92.52 133.78 35.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.705 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 50.1 p -84.01 -145.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.314 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.865 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.9 OUTLIER -83.59 -57.89 3.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.468 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 17.6 p -59.95 -44.99 94.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.672 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 149.82 -15.13 1.05 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -44.68 124.85 4.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.795 0.331 . . . . 0.0 110.518 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 17.0 m -103.9 147.79 26.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.677 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 4.9 mt -133.31 129.99 57.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.471 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 10.2 m -98.23 120.32 38.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.501 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 23.3 mt -118.08 134.75 54.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.642 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -94.63 79.41 3.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.351 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' B' ' 101' ' ' MET . 8.1 m -100.32 -167.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.831 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.516 ' OE1' ' N ' ' B' ' 101' ' ' MET . 9.9 mm-40 -143.23 150.77 53.23 Favored Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.891 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.56 -39.19 22.59 Favored 'Trans proline' 0 C--N 1.309 -1.529 0 C-N-CA 122.581 2.187 . . . . 0.0 112.619 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 2.5 p -82.55 22.81 0.83 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.347 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . 0.495 ' OD2' ' N ' ' B' ' 118' ' ' GLU . 25.5 m-20 -96.46 133.14 41.27 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.318 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 7.5 p -80.77 133.75 35.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . 0.404 HG22 ' NZ ' ' B' ' 127' ' ' LYS . 34.4 mm -41.97 -48.88 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.404 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -51.04 -43.29 60.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.193 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.527 HD22 ' C ' ' B' ' 125' ' ' ASN . 0.1 OUTLIER -60.25 -39.5 86.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.053 179.491 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 14.7 t -62.4 -43.81 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.913 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . 0.404 ' NZ ' HG22 ' B' ' 123' ' ' ILE . 41.5 mttp -56.32 -40.29 74.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.039 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.98 98.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.348 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -60.76 -45.14 95.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.435 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 15.3 mt -62.04 -47.58 92.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.375 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . 0.434 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.6 OUTLIER -54.32 -32.67 57.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.289 179.852 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -74.15 -27.59 60.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.485 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 45.0 mmtt -79.56 -63.83 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.482 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -84.65 -109.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.518 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -168.35 10.12 0.05 OUTLIER Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.542 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 36.2 mt -80.09 115.56 55.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -63.09 152.08 81.43 Favored 'Trans proline' 0 C--N 1.315 -1.218 0 C-N-CA 121.474 1.449 . . . . 0.0 111.584 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.522 ' O ' ' N ' ' B' ' 140' ' ' GLN . 2.6 Cg_endo -47.8 -66.93 0.12 Allowed 'Trans proline' 0 C--N 1.31 -1.458 0 C-N-CA 122.453 2.102 . . . . 0.0 111.93 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -43.58 -17.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' B' ' 138' ' ' PRO . 69.8 mt-30 -110.6 34.88 3.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.624 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . 0.542 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 77.2 mt-30 -134.52 159.76 40.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.606 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . 0.715 HH12 HD21 ' A' ' 28' ' ' ASN . 19.4 ttm180 -165.77 129.61 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.255 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 15.8 mt -107.86 128.95 55.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.096 0.474 . . . . 0.0 110.993 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.9 mt -125.32 125.05 68.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.257 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . 0.423 ' CG ' ' N ' ' B' ' 146' ' ' ALA . 88.4 t80 -139.62 159.45 42.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.435 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . 0.423 ' N ' ' CG ' ' B' ' 145' ' ' PHE . . . 46.02 28.88 0.68 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.618 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 65.91 36.61 92.33 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -150.8 137.19 18.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.757 0.313 . . . . 0.0 110.396 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -74.71 130.66 39.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.368 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 15.7 mt -82.93 138.03 33.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.934 0.397 . . . . 0.0 110.729 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.4 159.26 34.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.501 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.03 -18.59 30.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.727 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -105.81 37.68 3.69 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -139.52 167.47 22.01 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 11.6 p -106.82 161.92 14.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.908 0.385 . . . . 0.0 110.801 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . 0.406 ' CD1' HG21 ' B' ' 117' ' ' VAL . 81.0 mt -57.35 -41.01 79.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.675 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 48.3 t -55.12 -44.17 74.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -49.38 -38.2 27.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.738 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -89.94 18.86 5.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.622 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . 0.457 ' N ' ' OD1' ' B' ' 160' ' ' ASN . 1.3 m-20 49.16 30.01 2.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 89.9 mt -80.45 108.67 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.375 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -89.35 -156.76 0.42 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.753 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 6.0 ptp85 -80.83 159.91 24.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.831 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 60.26 35.05 20.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.856 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 19.8 m -95.01 122.36 37.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.464 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 21.8 m -95.35 111.96 23.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.504 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . 0.4 HD12 ' H ' ' B' ' 167' ' ' LEU . 3.7 mp -100.05 159.27 15.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.619 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 168' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -104.89 118.95 37.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.094 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . 0.4 HD12 ' O ' ' B' ' 142' ' ' ARG . 49.1 tp -92.74 134.47 35.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.036 -179.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 170' ' ' VAL . . . . . 0.469 HG21 HD13 ' A' ' 36' ' ' LEU . 2.4 t -134.81 139.87 46.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.995 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.584 HD12 ' N ' ' B' ' 171' ' ' LEU . 8.6 mp -74.58 110.03 8.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.828 0.347 . . . . 0.0 110.732 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' B' ' 173' ' ' LEU . 57.5 ttt180 -71.32 74.16 0.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.412 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 173' ' ' LEU . . . . . 0.528 ' C ' HH12 ' A' ' 24' ' ' ARG . 8.2 mt -41.82 164.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.744 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -71.57 125.95 28.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.54 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . -179.78 158.92 23.01 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 176' ' ' GLY . . . . . 0.426 ' N ' ' OH ' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.526 0.723 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 201' ' ' MET . . . . . 0.523 ' N ' ' O ' ' C' ' 217' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -91.17 115.1 27.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.591 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 20.9 pt -104.63 150.18 7.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.637 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -101.13 143.18 31.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.566 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 6.2 t -131.66 114.58 25.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.451 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 206' ' ' LYS . . . . . 0.469 ' HG3' ' HZ2' ' C' ' 206' ' ' LYS . 46.4 mttp -97.03 132.08 43.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.718 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 65.2 p -88.11 -154.79 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.412 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 208' ' ' LEU . . . . . 0.86 ' H ' HD22 ' C' ' 208' ' ' LEU . 1.1 mm? -78.16 -52.06 9.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 11.0 p -66.63 -1.45 3.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.596 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 87.23 26.51 30.65 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -81.99 113.61 20.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.549 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 8.8 m -85.06 149.5 25.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.633 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 3.0 mt -143.95 127.62 12.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 27.7 m -92.87 116.61 29.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.262 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 25.2 mt -121.93 128.65 51.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.839 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -79.44 122.4 26.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.253 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 217' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' C' ' 201' ' ' MET . 14.4 m -147.41 176.92 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.966 0.412 . . . . 0.0 110.833 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 218' ' ' GLU . . . . . 0.601 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 75.4 mt-10 -131.62 150.67 76.97 Favored Pre-proline 0 CA--C 1.53 0.202 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.912 179.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.38 -25.72 3.49 Favored 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 122.532 2.154 . . . . 0.0 112.451 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.2 p -90.86 11.57 22.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.087 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 221' ' ' ASP . . . . . 0.601 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 8.8 m-20 -83.45 134.52 34.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.859 0.361 . . . . 0.0 110.252 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 11.4 p -83.34 137.15 34.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 23.9 mm -45.25 -46.26 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.297 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -55.0 -35.58 64.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.111 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 225' ' ' ASN . . . . . 0.514 ' O ' ' HB3' ' C' ' 228' ' ' ALA . 13.8 t-20 -65.11 -48.91 71.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.024 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 22.1 t -56.29 -55.8 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.916 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 227' ' ' LYS . . . . . 0.427 ' CA ' HE22 ' C' ' 241' ' ' GLN . 46.0 mttm -47.64 -36.12 10.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.005 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 228' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' C' ' 225' ' ' ASN . . . -62.84 -45.14 93.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.003 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -59.89 -35.35 74.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.207 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 5.8 mt -70.39 -31.72 47.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.29 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -70.56 -27.85 64.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.322 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -80.5 -31.21 37.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.684 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -81.3 -57.46 3.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.71 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -88.7 -99.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.566 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 175.34 8.14 0.02 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 236' ' ' ILE . . . . . 0.427 ' O ' ' OE1' ' C' ' 241' ' ' GLN . 14.3 mt -80.17 115.93 57.96 Favored Pre-proline 0 C--N 1.329 -0.301 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.14 149.27 81.3 Favored 'Trans proline' 0 C--N 1.315 -1.211 0 C-N-CA 121.547 1.498 . . . . 0.0 111.7 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -50.51 -39.5 55.02 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.384 2.056 . . . . 0.0 111.983 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.41 -40.41 95.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.791 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -83.91 38.14 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.732 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 241' ' ' GLN . . . . . 0.427 HE22 ' CA ' ' C' ' 227' ' ' LYS . 33.6 mt-30 -134.66 153.85 51.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.715 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 242' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -156.33 95.87 1.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.851 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 243' ' ' LEU . . . . . 0.413 ' N ' HD12 ' C' ' 243' ' ' LEU . 7.9 mp -77.01 132.09 38.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.193 0.521 . . . . 0.0 110.968 -179.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.7 mt -135.24 118.06 22.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.21 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 245' ' ' PHE . . . . . 0.48 ' O ' ' HB3' ' C' ' 246' ' ' ALA . 65.3 t80 -107.92 73.9 0.92 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.667 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 246' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' C' ' 245' ' ' PHE . . . 69.27 88.11 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.54 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 247' ' ' GLY . . . . . 0.542 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 45.18 30.75 2.82 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -134.22 94.19 3.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.781 0.324 . . . . 0.0 110.568 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -74.51 119.85 19.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.228 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 11.0 mt -81.44 135.05 35.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.904 0.383 . . . . 0.0 110.827 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 251' ' ' GLU . . . . . 0.474 ' OE1' ' NH1' ' C' ' 254' ' ' ARG . 76.8 mt-10 -82.26 161.5 22.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.421 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.19 -22.77 41.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -102.62 41.44 2.13 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.324 -0.711 . . . . 0.0 111.324 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 254' ' ' ARG . . . . . 0.474 ' NH1' ' OE1' ' C' ' 251' ' ' GLU . 27.3 mmt-85 -139.62 176.07 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 33.9 p -117.96 165.97 13.08 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.853 0.359 . . . . 0.0 110.72 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.77 -35.91 81.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.714 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 257' ' ' SER . . . . . 0.489 ' C ' ' H ' ' C' ' 259' ' ' TYR . 19.1 t -65.49 -30.75 71.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.82 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -69.73 11.09 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.721 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 259' ' ' TYR . . . . . 0.489 ' H ' ' C ' ' C' ' 257' ' ' SER . 60.2 m-85 -140.59 14.16 2.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.478 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 21.3 m120 55.55 26.45 9.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.742 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 94.7 mt -77.75 102.78 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.494 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -81.62 -157.54 0.19 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.61 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -84.68 158.76 20.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.689 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 56.69 29.43 15.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.784 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 41.2 m -80.69 131.4 35.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.537 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 27.7 m -87.83 113.06 23.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.605 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 11.7 mt -100.69 154.16 18.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.445 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 268' ' ' HIS . . . . . 0.654 ' ND1' ' N ' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -113.0 100.17 8.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.24 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 269' ' ' LEU . . . . . 0.676 HD23 ' N ' ' C' ' 270' ' ' VAL . 6.4 tt -80.95 124.84 29.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.625 -179.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 270' ' ' VAL . . . . . 0.676 ' N ' HD23 ' C' ' 269' ' ' LEU . 4.6 t -116.28 148.57 18.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.649 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 271' ' ' LEU . . . . . 0.402 ' HB2' ' HE ' ' D' ' 340' ' ' ARG . 0.5 OUTLIER -84.59 95.53 8.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.2 179.653 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -50.19 137.4 17.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.487 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 273' ' ' LEU . . . . . 0.509 HD13 ' CD1' ' D' ' 343' ' ' PHE . 20.7 mt -117.13 170.09 8.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.529 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.606 179.966 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 313' ' ' TYR . . . . . 0.482 ' CD1' ' N ' ' D' ' 313' ' ' TYR . 0.5 OUTLIER . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.75 0.309 . . . . 0.0 110.536 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.84 92.87 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.512 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 315' ' ' LEU . . . . . 0.46 HD13 ' OE1' ' D' ' 342' ' ' GLU . 11.0 mt -98.25 45.1 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.479 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 8.5 t -82.62 12.6 4.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.737 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -174.04 87.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 110.791 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -130.19 165.66 21.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.246 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 60.8 mmtt -105.06 163.71 12.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.736 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -63.9 -49.41 72.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.552 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -61.24 -39.62 91.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.655 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -61.67 -55.17 33.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.69 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 323' ' ' LEU . . . . . 0.614 HD21 ' CD ' ' D' ' 342' ' ' GLU . 17.2 mt -56.67 -59.56 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.405 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 324' ' ' ARG . . . . . 0.518 ' O ' ' ND2' ' D' ' 328' ' ' ASN . 0.0 OUTLIER -53.14 -52.16 59.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.541 -179.876 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 325' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' D' ' 329' ' ' THR . 10.7 t70 -57.11 -49.08 77.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.596 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 326' ' ' THR . . . . . 0.549 ' O ' ' N ' ' D' ' 330' ' ' SER . 53.1 m -51.44 -48.7 62.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.654 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 327' ' ' ILE . . . . . 0.431 HG23 HD22 ' D' ' 336' ' ' LEU . 94.8 mt -69.35 -33.29 56.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.583 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 328' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' D' ' 324' ' ' ARG . 1.3 m-80 -87.06 -3.23 59.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.176 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.453 ' N ' ' O ' ' D' ' 325' ' ' ASP . 71.4 p -127.26 -16.09 5.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.869 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 330' ' ' SER . . . . . 0.549 ' N ' ' O ' ' D' ' 326' ' ' THR . 4.0 t -110.24 175.2 5.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.991 0.424 . . . . 0.0 110.95 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 331' ' ' CYS . . . . . 0.542 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 14.0 p -143.29 10.83 1.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.09 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 332' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' D' ' 333' ' ' ILE . 6.1 m-20 -72.09 92.06 1.3 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.493 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . 0.694 ' HA ' HD12 ' D' ' 336' ' ' LEU . 2.3 mt -38.38 -41.05 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.829 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -56.42 -57.18 13.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.137 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 10.9 mt -59.05 -43.06 91.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.912 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 336' ' ' LEU . . . . . 0.694 HD12 ' HA ' ' D' ' 333' ' ' ILE . 85.7 mt -52.2 -44.09 64.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.423 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -68.08 -49.21 62.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.596 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -60.02 -45.36 93.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.362 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 339' ' ' CYS . . . . . . . . . . . . . 90.2 m -59.03 -53.5 57.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.229 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 340' ' ' ARG . . . . . 0.402 ' HE ' ' HB2' ' C' ' 271' ' ' LEU . 14.9 mtp-105 -52.54 -42.77 64.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.276 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -58.33 -56.07 26.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 342' ' ' GLU . . . . . 0.614 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.5 pt-20 -69.92 -34.68 73.8 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.742 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 343' ' ' PHE . . . . . 0.509 ' CD1' HD13 ' C' ' 273' ' ' LEU . 24.8 t80 -58.45 -41.57 85.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.536 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -76.72 -52.45 9.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.307 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -46.62 -40.86 13.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.218 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 68.5 mtt-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.468 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.791 0.329 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -79.12 93.03 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.573 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.7 mt -93.84 44.69 1.13 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.458 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.8 m -83.78 -3.8 58.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -147.56 76.38 1.4 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.749 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -128.22 163.49 24.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.351 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -106.96 166.68 10.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.622 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -65.61 -48.1 73.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.451 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.18 -33.61 74.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.694 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -68.37 -55.75 10.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.711 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.528 HD21 ' CD ' ' A' ' 42' ' ' GLU . 14.8 mt -56.42 -56.96 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.534 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.707 ' NH1' HD21 ' A' ' 28' ' ' ASN . 14.2 tpt85 -53.04 -53.41 50.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.437 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.532 ' OD2' ' CZ ' ' C' ' 245' ' ' PHE . 4.3 t70 -54.03 -50.57 66.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.384 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.569 ' O ' ' N ' ' A' ' 30' ' ' SER . 17.7 m -50.63 -50.29 54.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.644 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.2 mt -66.75 -25.87 35.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.638 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.707 HD21 ' NH1' ' A' ' 24' ' ' ARG . 1.3 m-80 -100.29 1.86 42.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.15 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.53 ' N ' ' O ' ' A' ' 25' ' ' ASP . 75.3 p -135.85 -7.3 2.13 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.072 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.569 ' N ' ' O ' ' A' ' 26' ' ' THR . 4.7 t -111.89 169.47 8.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.984 0.421 . . . . 0.0 110.904 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.43 ' SG ' ' C ' ' B' ' 147' ' ' GLY . 40.2 m -143.22 36.08 1.36 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.323 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -107.67 99.12 8.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.703 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.7 mt -41.61 -37.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.473 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -59.5 -55.14 38.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.134 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.494 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 9.2 mt -62.25 -46.53 88.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.044 179.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.1 mt -53.07 -45.09 67.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.438 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.38 -49.06 70.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.469 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.29 -43.0 96.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.396 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 86.4 m -59.78 -53.47 57.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.249 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.555 HH21 HD22 ' B' ' 171' ' ' LEU . 17.0 mtp-105 -54.46 -41.09 69.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.42 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -58.43 -56.49 21.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.846 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.528 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.6 pt-20 -67.73 -37.43 82.18 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.756 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.471 ' CD1' HD13 ' B' ' 173' ' ' LEU . 10.4 t80 -60.13 -34.87 74.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.532 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -83.29 -49.64 9.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.322 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -50.53 -37.99 42.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.213 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 70.9 mtt-85 -63.67 -15.93 59.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.614 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.9 mt -105.85 -23.58 12.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.599 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' A' ' 50' ' ' TYR . 65.8 mmtt -79.45 -32.26 42.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.743 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.418 ' H ' HG22 ' A' ' 49' ' ' VAL . 2.5 m -43.62 89.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.623 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.54 ' N ' ' O ' ' A' ' 48' ' ' LYS . 10.3 m-85 41.29 62.2 1.56 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.653 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.54 ' ND1' ' N ' ' A' ' 51' ' ' HIS . 3.5 p-80 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.588 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.477 ' CG ' ' H ' ' B' ' 102' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . 0.477 ' H ' ' CG ' ' B' ' 101' ' ' MET . 13.8 tt0 -168.54 87.62 0.2 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.509 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 7.1 pt -100.83 153.39 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.834 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -109.35 122.09 46.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.456 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 57.3 t -108.78 107.2 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.337 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . 0.401 ' HZ2' HG23 ' B' ' 166' ' ' THR . 55.3 mttp -91.76 139.17 30.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.933 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 50.9 p -90.38 -146.93 0.19 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.347 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.923 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.7 OUTLIER -82.96 -60.95 2.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.546 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . 0.402 ' H ' HG23 ' B' ' 109' ' ' THR . 5.6 p -56.45 -45.94 80.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.645 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 150.56 -6.92 0.68 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -45.71 112.24 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.725 0.297 . . . . 0.0 110.535 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.8 m -100.74 116.17 32.01 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.633 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 4.5 mt -105.69 130.56 56.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.434 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 7.5 m -90.24 99.89 12.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.543 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.492 HD22 ' N ' ' B' ' 115' ' ' LEU . 4.1 mm? -95.91 129.84 43.04 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.682 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -100.35 98.05 8.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.075 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . 0.43 HG21 ' CD1' ' B' ' 156' ' ' LEU . 22.9 m -122.54 -162.56 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.528 ' N ' ' OD2' ' B' ' 121' ' ' ASP . 37.2 mm-40 -144.56 150.11 46.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.917 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.3 -40.02 27.79 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.536 2.157 . . . . 0.0 112.597 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.6 p -81.83 22.81 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.408 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . 0.528 ' OD2' ' N ' ' B' ' 118' ' ' GLU . 29.7 m-20 -97.58 135.97 38.65 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.307 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 9.7 p -80.79 133.86 35.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.949 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 31.5 mm -43.69 -51.01 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.29 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -48.76 -42.17 34.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.171 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.699 HD22 ' NZ ' ' B' ' 129' ' ' LYS . 20.9 t30 -61.43 -39.53 91.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.096 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.39 -50.14 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.962 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -51.33 -39.83 57.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.203 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.29 -43.55 97.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.312 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.699 ' NZ ' HD22 ' B' ' 125' ' ' ASN . 42.0 mttp -57.75 -44.52 86.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.267 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 7.4 mt -62.38 -43.53 98.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.218 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -57.34 -28.32 63.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.192 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -79.88 -26.41 40.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.51 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -80.29 -62.1 1.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.498 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -89.92 -106.24 0.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.631 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -171.6 16.8 0.06 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.731 -0.947 . . . . 0.0 110.731 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.438 ' O ' ' OE1' ' B' ' 141' ' ' GLN . 14.8 mt -87.75 114.27 58.26 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 110.5 -0.185 . . . . 0.0 110.5 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -65.28 150.72 87.02 Favored 'Trans proline' 0 C--N 1.314 -1.274 0 C-N-CA 121.523 1.482 . . . . 0.0 111.525 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -48.51 -60.6 0.81 Allowed 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.481 2.12 . . . . 0.0 111.9 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -43.72 -26.41 0.24 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.594 HE22 ' H ' ' B' ' 174' ' ' ARG . 60.8 mm-40 -105.46 34.48 3.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.663 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' B' ' 138' ' ' PRO . 23.8 mt-30 -134.57 161.24 35.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.908 0.385 . . . . 0.0 110.624 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . 0.447 ' NH1' ' OD1' ' A' ' 28' ' ' ASN . 22.2 ttt85 -166.43 116.64 0.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.204 -179.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 17.5 mt -96.82 131.65 43.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.034 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.5 mt -123.93 134.82 65.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.23 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -153.18 150.79 29.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.818 0.342 . . . . 0.0 110.718 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 58.19 22.24 8.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.963 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . 0.43 ' C ' ' SG ' ' A' ' 31' ' ' CYS . . . 73.38 28.9 64.95 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -146.18 147.77 31.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.874 0.369 . . . . 0.0 110.656 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . 0.534 HE22 ' C ' ' B' ' 150' ' ' LEU . 0.9 OUTLIER -78.73 135.31 37.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.24 179.852 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.534 ' C ' HE22 ' B' ' 149' ' ' GLN . 20.6 mt -88.01 118.74 27.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.766 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . 0.525 ' N ' ' OE1' ' B' ' 151' ' ' GLU . 0.5 OUTLIER -59.59 160.08 7.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.559 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.89 -24.54 26.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -100.17 37.63 3.48 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -139.49 174.03 10.93 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 25.6 p -111.09 166.1 11.34 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.76 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . 0.43 ' CD1' HG21 ' B' ' 117' ' ' VAL . 62.9 mt -62.5 -37.93 87.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.461 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . 0.497 ' C ' ' H ' ' B' ' 159' ' ' TYR . 8.5 t -56.27 -31.62 63.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.812 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -69.01 11.69 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.687 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . 0.497 ' H ' ' C ' ' B' ' 157' ' ' SER . 77.8 m-85 -140.61 3.72 1.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.559 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 6.1 m120 56.92 34.52 24.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.614 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 81.9 mt -79.5 97.28 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.493 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -79.68 -158.78 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.619 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . 0.422 ' NH1' ' OE1' ' B' ' 164' ' ' GLU . 39.7 ptt85 -83.4 158.97 21.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.666 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . 0.422 ' OE1' ' NH1' ' B' ' 163' ' ' ARG . 13.2 mt-10 63.15 23.27 13.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.746 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 50.2 m -82.32 129.92 34.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.452 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 166' ' ' THR . . . . . 0.401 HG23 ' HZ2' ' B' ' 106' ' ' LYS . 24.6 m -91.19 104.33 16.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.714 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 4.1 mp -96.12 147.06 24.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.498 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 168' ' ' HIS . . . . . 0.685 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -96.43 119.26 34.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.042 179.699 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 15.9 tp -99.28 111.16 23.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.475 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 1.1 t -112.17 144.09 20.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.234 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.602 HD12 ' N ' ' B' ' 171' ' ' LEU . 8.8 mp -82.24 91.13 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.567 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . 0.534 ' CG ' HH22 ' A' ' 24' ' ' ARG . 65.7 ttt180 -46.26 90.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.436 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 173' ' ' LEU . . . . . 0.512 ' N ' ' O ' ' B' ' 171' ' ' LEU . 22.9 mt -61.05 124.05 19.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.54 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 174' ' ' ARG . . . . . 0.594 ' H ' HE22 ' B' ' 140' ' ' GLN . 2.4 tmm_? -81.87 142.37 32.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.533 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 175' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' B' ' 176' ' ' GLY . . . -161.04 -123.92 0.7 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 176' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' B' ' 175' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.657 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 201' ' ' MET . . . . . 0.526 ' N ' ' O ' ' C' ' 217' ' ' VAL . 2.3 ptt? . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -82.55 119.88 24.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.65 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 19.4 pt -113.73 144.73 20.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.643 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -94.33 146.98 23.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.668 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 45.6 t -130.96 110.72 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.37 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -80.55 115.14 19.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.526 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 207' ' ' THR . . . . . 0.469 HG23 ' O ' ' C' ' 211' ' ' LYS . 52.4 p -68.76 -163.38 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.469 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 208' ' ' LEU . . . . . 0.928 ' H ' HD22 ' C' ' 208' ' ' LEU . 0.7 OUTLIER -81.34 -53.75 6.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.562 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 209' ' ' THR . . . . . 0.417 ' H ' HG23 ' C' ' 209' ' ' THR . 14.1 p -63.58 -44.22 94.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.577 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 154.82 -32.15 0.67 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 211' ' ' LYS . . . . . 0.469 ' O ' HG23 ' C' ' 207' ' ' THR . 43.3 tttp -44.68 128.62 6.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.76 0.314 . . . . 0.0 110.708 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 212' ' ' THR . . . . . 0.465 HG22 ' N ' ' C' ' 213' ' ' ILE . 31.4 m -99.32 158.69 15.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.644 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 213' ' ' ILE . . . . . 0.465 ' N ' HG22 ' C' ' 212' ' ' THR . 0.5 OUTLIER -136.14 130.16 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.402 179.819 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 26.2 m -99.94 96.95 7.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.393 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 215' ' ' LEU . . . . . 0.538 ' N ' HD12 ' C' ' 215' ' ' LEU . 10.5 mp -97.29 132.18 43.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.739 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 216' ' ' GLU . . . . . 0.496 ' CD ' ' H ' ' C' ' 216' ' ' GLU . 3.6 mp0 -83.8 126.4 32.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.984 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 217' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' C' ' 201' ' ' MET . 18.8 m -147.49 -161.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.066 0.46 . . . . 0.0 111.105 -179.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 218' ' ' GLU . . . . . 0.505 ' N ' ' OD2' ' C' ' 221' ' ' ASP . 2.1 mt-10 -142.67 170.66 8.38 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.668 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.28 -12.99 20.98 Favored 'Trans proline' 0 C--N 1.311 -1.395 0 C-N-CA 122.461 2.107 . . . . 0.0 112.432 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 2.7 p -101.73 -5.77 24.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.728 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 221' ' ' ASP . . . . . 0.505 ' OD2' ' N ' ' C' ' 218' ' ' GLU . 37.6 m-20 -66.77 140.69 57.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.428 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 10.3 p -85.8 141.76 29.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 22.2 mm -49.33 -39.6 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.248 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -58.39 -39.57 80.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.298 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 225' ' ' ASN . . . . . 0.518 ' OD1' ' NZ ' ' C' ' 229' ' ' LYS . 39.5 t-20 -65.06 -40.49 94.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.144 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 35.9 t -62.46 -47.52 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.188 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 227' ' ' LYS . . . . . 0.54 ' NZ ' ' O ' ' C' ' 241' ' ' GLN . 28.7 mttm -55.44 -40.13 71.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.242 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -61.77 -44.36 97.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.209 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 229' ' ' LYS . . . . . 0.518 ' NZ ' ' OD1' ' C' ' 225' ' ' ASN . 60.1 mttp -58.35 -45.37 88.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.288 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 59.7 mt -61.05 -37.76 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.29 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -61.24 -36.03 78.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.252 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -72.55 -24.05 61.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.621 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -82.95 -62.79 1.5 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.687 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -86.38 -107.91 0.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.649 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -171.31 13.15 0.05 OUTLIER Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 236' ' ' ILE . . . . . 0.524 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 27.7 mt -89.61 114.17 59.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -63.4 152.48 79.81 Favored 'Trans proline' 0 C--N 1.314 -1.273 0 C-N-CA 121.524 1.483 . . . . 0.0 111.745 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 238' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' C' ' 240' ' ' GLN . 2.7 Cg_endo -47.45 -62.75 0.4 Allowed 'Trans proline' 0 C--N 1.31 -1.492 0 C-N-CA 122.516 2.144 . . . . 0.0 111.88 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -45.45 -15.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.672 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 240' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' C' ' 238' ' ' PRO . 86.5 mt-30 -116.58 33.62 5.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.61 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 241' ' ' GLN . . . . . 0.54 ' O ' ' NZ ' ' C' ' 227' ' ' LYS . 49.0 mt-30 -134.51 166.92 21.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.67 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 242' ' ' ARG . . . . . 0.625 HH12 HD21 ' D' ' 328' ' ' ASN . 5.9 ttt180 -170.43 147.72 3.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.762 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 11.4 mt -125.09 136.2 53.43 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.093 0.473 . . . . 0.0 111.101 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 244' ' ' ILE . . . . . 0.458 ' O ' ' CG ' ' C' ' 268' ' ' HIS . 1.6 mt -129.13 116.26 39.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.057 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 245' ' ' PHE . . . . . 0.532 ' CZ ' ' OD2' ' A' ' 25' ' ' ASP . 61.9 t80 -100.7 74.54 1.67 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.947 0.404 . . . . 0.0 110.91 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 246' ' ' ALA . . . . . 0.4 ' CB ' ' OD1' ' A' ' 25' ' ' ASP . . . 56.34 88.17 0.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.973 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 247' ' ' GLY . . . . . . . . . . . . . . . 54.75 40.33 71.05 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -150.92 92.47 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.754 0.311 . . . . 0.0 110.901 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 249' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' D' ' 328' ' ' ASN . 10.9 tt0 -73.07 119.48 17.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.781 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 9.3 mt -80.83 141.44 34.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.931 0.395 . . . . 0.0 111.093 -179.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -86.14 161.09 19.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.364 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.16 0.1 54.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.891 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -123.14 34.25 3.76 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -135.81 178.44 7.04 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 255' ' ' THR . . . . . 0.42 ' C ' ' H ' ' C' ' 257' ' ' SER . 30.3 p -117.33 162.94 17.1 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.683 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 71.9 mt -66.83 2.77 1.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.6 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 257' ' ' SER . . . . . 0.42 ' H ' ' C ' ' C' ' 255' ' ' THR . 1.4 t -92.26 -43.77 9.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.726 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -51.0 -31.21 17.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.571 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -98.04 0.98 47.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.73 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 260' ' ' ASN . . . . . 0.406 ' O ' ' OD1' ' C' ' 260' ' ' ASN . 13.5 t-20 62.15 13.13 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.767 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 45.0 mt -51.77 96.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.865 0.364 . . . . 0.0 110.3 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -76.3 -157.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.661 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -84.19 159.0 21.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 58.29 33.96 23.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.776 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 26.7 m -89.95 134.88 33.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.56 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 7.0 m -86.68 113.65 22.72 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.477 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 11.8 mt -109.55 115.74 30.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.704 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 268' ' ' HIS . . . . . 0.645 ' ND1' ' N ' ' C' ' 268' ' ' HIS . 0.1 OUTLIER -73.39 117.35 15.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.078 179.627 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 269' ' ' LEU . . . . . 0.4 HD12 ' O ' ' C' ' 242' ' ' ARG . 35.1 tp -88.8 128.38 35.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.38 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 270' ' ' VAL . . . . . 0.522 HG12 ' H ' ' C' ' 271' ' ' LEU . 4.6 t -131.08 168.49 23.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.638 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 271' ' ' LEU . . . . . 0.522 ' H ' HG12 ' C' ' 270' ' ' VAL . 10.5 mt -99.53 119.84 38.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.532 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -79.92 91.63 5.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.557 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 273' ' ' LEU . . . . . 0.5 HD13 ' CD1' ' D' ' 343' ' ' PHE . 17.4 mt -72.99 100.44 2.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.548 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 274' ' ' ARG . . . . . 0.524 ' O ' ' NH2' ' D' ' 324' ' ' ARG . 61.2 ttt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.448 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.855 0.36 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -78.98 92.86 5.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.632 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 315' ' ' LEU . . . . . 0.472 ' C ' ' H ' ' D' ' 317' ' ' LYS . 19.6 mt -97.04 33.83 1.85 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.457 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 13.3 p -71.21 13.44 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.666 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 317' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' D' ' 315' ' ' LEU . 27.5 pttt -157.7 80.91 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.64 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 8.0 m95 -138.88 164.09 30.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.157 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -108.16 161.4 15.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.603 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -63.68 -48.74 75.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.413 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -60.08 -36.03 76.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.613 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -67.77 -55.41 13.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.633 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 323' ' ' LEU . . . . . 0.508 HD21 ' CD ' ' D' ' 342' ' ' GLU . 13.3 mt -54.64 -56.77 15.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.448 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 324' ' ' ARG . . . . . 0.524 ' NH2' ' O ' ' C' ' 274' ' ' ARG . 4.0 tpt180 -53.09 -52.03 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.497 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 325' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' D' ' 329' ' ' THR . 69.8 m-20 -56.91 -49.45 75.55 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.439 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 326' ' ' THR . . . . . 0.423 ' O ' ' N ' ' D' ' 330' ' ' SER . 18.8 m -51.07 -43.26 60.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.56 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 95.8 mt -77.89 -21.88 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.757 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 328' ' ' ASN . . . . . 0.693 HD22 ' N ' ' D' ' 328' ' ' ASN . 0.7 OUTLIER -102.33 3.83 38.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.985 -179.765 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.512 ' N ' ' O ' ' D' ' 325' ' ' ASP . 82.1 p -139.33 -40.57 0.47 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.683 0.277 . . . . 0.0 111.227 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 330' ' ' SER . . . . . 0.423 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.5 OUTLIER -82.13 162.34 22.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.035 0.445 . . . . 0.0 111.317 -179.335 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 331' ' ' CYS . . . . . 0.483 ' O ' ' SG ' ' D' ' 331' ' ' CYS . 26.5 p -138.35 88.28 2.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.305 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -157.1 95.4 1.49 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.328 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 4.6 mt -38.83 -34.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.798 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -64.07 -59.01 4.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.278 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 19.4 mt -60.96 -48.85 79.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.933 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 39.0 mt -50.58 -45.48 57.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.453 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -62.89 -49.07 76.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.43 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -63.38 -47.24 82.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.706 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 339' ' ' CYS . . . . . . . . . . . . . 75.4 m -55.29 -48.36 74.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.424 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 340' ' ' ARG . . . . . 0.489 ' NH2' HD12 ' C' ' 208' ' ' LEU . 6.8 mtp180 -62.8 -39.63 94.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.474 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -56.88 -57.32 12.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.653 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 342' ' ' GLU . . . . . 0.508 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.7 pt-20 -62.85 -33.95 76.33 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.555 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 343' ' ' PHE . . . . . 0.5 ' CD1' HD13 ' C' ' 273' ' ' LEU . 6.9 t80 -58.6 -44.87 90.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.288 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -70.39 -51.69 27.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.437 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -47.09 -49.13 22.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.503 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 72.1 mtt-85 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.499 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.769 0.319 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.56 92.85 5.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.582 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.9 mt -92.83 43.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.2 p -95.47 -6.52 40.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.667 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -122.14 41.71 3.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.524 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -109.32 168.28 9.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.548 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -112.54 164.13 13.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.568 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 29.5 t80 -60.59 -49.61 76.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.6 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.45 -39.24 92.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.417 ' O ' ' OG1' ' A' ' 26' ' ' THR . 52.0 mm-40 -60.15 -58.06 10.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.632 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.492 HD21 ' CD ' ' A' ' 42' ' ' GLU . 14.4 mt -55.5 -58.01 9.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.542 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.516 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 0.9 OUTLIER -52.8 -45.56 67.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.156 179.846 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 29' ' ' THR . 8.3 t70 -60.33 -49.77 76.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.09 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.541 ' O ' ' N ' ' A' ' 30' ' ' SER . 4.4 m -49.07 -45.95 43.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.46 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.611 HD11 ' SG ' ' A' ' 39' ' ' CYS . 89.5 mt -73.55 -28.03 24.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.949 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.516 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 1.9 m-80 -93.28 0.29 56.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.196 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' ASP . 43.8 p -137.0 -44.73 0.57 Allowed 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.357 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.8 OUTLIER -70.75 173.79 6.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.013 0.435 . . . . 0.0 111.323 -179.268 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.425 ' SG ' ' CG2' ' B' ' 144' ' ' ILE . 66.1 m -151.68 86.91 1.34 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.438 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -163.14 102.45 0.98 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.926 0.394 . . . . 0.0 110.537 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.635 ' H ' HD12 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -39.24 -44.52 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.77 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -55.16 -58.85 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.407 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.76 -52.49 65.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.102 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.9 mt -50.58 -46.16 57.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.578 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.85 -49.21 77.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.445 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.69 -42.78 99.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.229 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.611 ' SG ' HD11 ' A' ' 27' ' ' ILE . 30.9 t -60.75 -53.55 56.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.157 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.2 mtp-105 -55.04 -38.87 68.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.365 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -60.05 -59.67 5.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.664 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.492 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.7 pt-20 -63.24 -35.13 79.3 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.543 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.488 ' CD1' HD13 ' B' ' 173' ' ' LEU . 13.4 t80 -59.82 -40.55 88.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.304 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -71.97 -52.55 16.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.315 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.522 ' O ' ' N ' ' A' ' 49' ' ' VAL . 59.6 mtp180 -46.75 -47.7 20.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.451 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.7 mtp85 -52.12 -26.74 11.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.569 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.3 mt -95.84 -53.82 3.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.569 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -68.07 -48.02 66.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.638 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.522 ' N ' ' O ' ' A' ' 45' ' ' ARG . 3.0 t 56.59 -126.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.291 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.432 ' O ' ' O ' ' A' ' 49' ' ' VAL . 0.3 OUTLIER 45.52 98.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.56 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.528 179.94 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.526 ' N ' ' O ' ' B' ' 117' ' ' VAL . 29.4 ttp . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -92.31 125.37 36.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.669 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 17.4 pt -123.42 145.01 31.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.487 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . 0.497 ' CE2' ' OG1' ' B' ' 114' ' ' THR . 78.9 m-85 -98.96 135.67 40.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.669 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 38.5 t -113.89 107.05 21.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.253 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.44 155.12 27.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.63 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 17.1 p -121.61 -174.24 2.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.424 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.941 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.7 OUTLIER -81.85 -26.98 33.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.406 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 44.5 p -84.85 3.1 39.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.47 -14.85 63.74 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -56.11 161.64 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 110.535 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 4.7 m -141.37 152.82 44.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.551 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -137.98 126.24 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.431 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . 0.497 ' OG1' ' CE2' ' B' ' 104' ' ' PHE . 10.6 m -96.93 96.53 8.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.559 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.566 HD12 ' N ' ' B' ' 115' ' ' LEU . 8.8 mp -95.7 137.9 34.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.734 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -90.23 123.31 33.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.2 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' B' ' 101' ' ' MET . 16.8 m -147.76 -170.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.018 0.437 . . . . 0.0 110.818 -179.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.59 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 4.5 mt-10 -137.43 148.38 61.54 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.786 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.98 -25.04 2.53 Favored 'Trans proline' 0 C--N 1.31 -1.462 0 C-N-CA 122.385 2.056 . . . . 0.0 112.377 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.34 12.31 18.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.946 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . 0.59 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 1.1 m-20 -84.31 134.8 34.5 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 110.256 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 10.5 p -83.65 135.82 34.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.793 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 26.2 mm -41.96 -48.65 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.317 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -51.0 -42.69 60.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.164 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.455 ' O ' ' HB3' ' B' ' 128' ' ' ALA . 0.2 OUTLIER -60.46 -46.89 88.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.022 179.478 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 45.7 t -54.79 -46.78 74.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.941 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . 0.445 ' O ' ' OE1' ' B' ' 141' ' ' GLN . 82.7 mttt -54.73 -36.59 64.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.948 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' B' ' 125' ' ' ASN . . . -62.4 -49.84 73.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.17 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -55.19 -47.61 74.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.359 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 71.7 mt -56.87 -46.79 83.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.366 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . 0.451 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 2.1 tp60 -54.77 -31.48 58.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.871 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -70.88 -40.33 72.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.627 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -70.59 -64.59 0.87 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.324 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -80.99 -115.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.618 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -168.77 13.04 0.06 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.525 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 45.7 mt -84.69 119.0 72.3 Favored Pre-proline 0 CA--C 1.533 0.289 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -59.94 153.15 59.36 Favored 'Trans proline' 0 C--N 1.314 -1.279 0 C-N-CA 121.476 1.451 . . . . 0.0 111.654 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.515 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -47.8 -65.44 0.18 Allowed 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.501 2.134 . . . . 0.0 111.882 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . 0.416 ' O ' ' OD1' ' B' ' 139' ' ' ASP . 50.1 t0 -42.31 -22.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' B' ' 138' ' ' PRO . 86.5 mt-30 -106.69 33.38 3.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.788 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 78.3 mt-30 -134.65 82.27 1.95 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.7 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . 0.705 HH12 HH21 ' B' ' 172' ' ' ARG . 40.6 ttt85 -90.04 112.22 23.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.994 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.6 mt -92.87 140.64 29.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.076 0.465 . . . . 0.0 111.24 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . 0.425 ' CG2' ' SG ' ' A' ' 31' ' ' CYS . 2.4 mt -133.57 138.03 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.205 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . 0.529 ' O ' ' HB3' ' B' ' 146' ' ' ALA . 83.9 t80 -166.29 144.25 5.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.591 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' B' ' 145' ' ' PHE . . . 71.85 17.9 5.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.8 21.9 70.51 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 37.9 mttm -146.36 149.93 34.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.716 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . 0.527 ' NE2' ' OE1' ' B' ' 151' ' ' GLU . 1.1 tm0? -80.65 131.58 35.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.187 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.444 ' O ' ' OE1' ' B' ' 149' ' ' GLN . 12.5 mt -80.26 113.56 18.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.029 -179.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . 0.527 ' OE1' ' NE2' ' B' ' 149' ' ' GLN . 0.3 OUTLIER -60.97 160.99 8.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.373 179.721 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.21 -24.48 32.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.812 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -97.75 41.33 2.31 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 32.8 mmt-85 -139.65 173.83 11.14 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 35.3 p -117.8 165.01 14.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.928 0.394 . . . . 0.0 110.654 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . 0.514 ' CD1' HG21 ' B' ' 117' ' ' VAL . 90.1 mt -61.94 -34.11 75.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.595 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 83.3 p -65.86 -41.63 91.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.685 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -51.15 -39.7 56.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.692 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . 0.416 ' OH ' ' OE2' ' B' ' 151' ' ' GLU . 57.9 m-85 -88.04 8.53 26.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.704 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' B' ' 160' ' ' ASN . 13.8 t-20 61.21 21.17 11.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.75 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 85.9 mt -69.93 102.59 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.369 . . . . 0.0 110.345 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -83.85 -168.14 2.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.729 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -72.75 161.79 30.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.818 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 51.54 38.94 23.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.679 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 30.4 m -102.28 138.94 38.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.492 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 6.2 m -85.1 147.45 26.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.37 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.7 mt -134.31 111.6 10.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.238 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 168' ' ' HIS . . . . . 0.689 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -68.77 106.6 2.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.162 -179.794 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 41.2 tp -87.57 130.34 34.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.622 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.0 t -129.24 154.95 40.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.359 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.624 HD12 ' N ' ' B' ' 171' ' ' LEU . 7.4 mp -98.1 104.19 16.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.603 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . 0.705 HH21 HH12 ' B' ' 142' ' ' ARG . 60.1 ttt180 -56.09 82.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.393 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 173' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' B' ' 171' ' ' LEU . 34.2 mt -46.64 96.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.656 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 174' ' ' ARG . . . . . 0.491 ' CG ' ' H ' ' B' ' 175' ' ' GLY . 0.0 OUTLIER 42.33 -141.22 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.711 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 175' ' ' GLY . . . . . 0.491 ' H ' ' CG ' ' B' ' 174' ' ' ARG . . . 173.83 -93.5 0.1 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.599 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 201' ' ' MET . . . . . . . . . . . . . 1.4 ptt? . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -96.75 114.19 25.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.727 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 18.6 pt -102.28 149.44 6.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.598 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -102.99 139.98 37.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.705 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 41.0 t -127.7 109.71 20.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.281 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -93.74 132.13 38.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.814 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 70.1 p -84.63 -157.43 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.301 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 208' ' ' LEU . . . . . 0.609 HD22 ' N ' ' C' ' 208' ' ' LEU . 3.3 mm? -70.4 -61.41 1.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.55 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 5.7 p -56.27 -45.89 79.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.546 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 143.78 11.51 0.36 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -62.66 110.23 1.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.736 0.303 . . . . 0.0 110.632 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 8.7 m -90.88 134.87 34.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.426 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 213' ' ' ILE . . . . . 0.409 HD13 HG21 ' C' ' 213' ' ' ILE . 2.8 mt -126.94 128.09 70.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.667 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 8.1 m -95.59 122.74 38.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.128 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 30.9 mt -130.41 128.92 42.34 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.877 0.37 . . . . 0.0 110.953 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -77.01 121.48 23.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.221 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 217' ' ' VAL . . . . . . . . . . . . . 15.4 m -147.56 174.03 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.385 . . . . 0.0 110.885 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 218' ' ' GLU . . . . . 0.584 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 76.1 mt-10 -128.39 151.24 76.23 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.0 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.81 -25.89 2.88 Favored 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 122.482 2.121 . . . . 0.0 112.352 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.6 p -80.59 -27.55 37.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.747 0.308 . . . . 0.0 110.944 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 221' ' ' ASP . . . . . 0.584 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 5.0 m-20 -45.71 135.57 6.69 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.964 0.411 . . . . 0.0 110.644 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 222' ' ' THR . . . . . 0.426 ' OG1' ' OD1' ' C' ' 225' ' ' ASN . 17.5 p -90.82 140.17 30.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.648 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 22.5 mm -45.51 -34.12 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.363 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -63.22 -41.58 99.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.264 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 225' ' ' ASN . . . . . 0.426 ' OD1' ' OG1' ' C' ' 222' ' ' THR . 2.8 m120 -63.64 -40.66 97.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.065 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 44.4 t -62.64 -50.76 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.961 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 227' ' ' LYS . . . . . 0.509 ' NZ ' ' O ' ' C' ' 241' ' ' GLN . 19.6 mttm -50.17 -42.35 50.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.177 179.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -61.55 -43.74 98.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.426 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 37.1 mttp -58.52 -38.88 78.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.445 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 8.0 mt -69.25 -33.1 56.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.314 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -66.21 -30.94 71.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.306 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -79.14 -31.17 43.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.631 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm -78.31 -62.44 1.68 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.705 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -86.05 -97.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.593 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 169.66 15.5 0.02 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 236' ' ' ILE . . . . . 0.523 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 53.7 mt -84.26 128.59 61.55 Favored Pre-proline 0 CA--C 1.532 0.283 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -55.58 147.99 56.16 Favored 'Trans proline' 0 C--N 1.313 -1.303 0 C-N-CA 121.645 1.564 . . . . 0.0 111.591 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -51.98 -37.21 67.1 Favored 'Trans proline' 0 C--N 1.309 -1.513 0 C-N-CA 122.246 1.964 . . . . 0.0 111.726 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -66.01 -40.8 91.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.493 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -84.43 36.57 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.536 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 241' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 87.0 mt-30 -134.34 74.72 1.55 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.525 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 242' ' ' ARG . . . . . 0.424 ' HE ' ' HG3' ' C' ' 249' ' ' GLN . 32.5 ttt85 -89.71 109.44 20.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.215 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 15.3 mt -88.5 131.59 34.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.5 mt -127.18 123.61 62.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.362 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 245' ' ' PHE . . . . . 0.449 ' CZ ' ' OD2' ' A' ' 25' ' ' ASP . 59.6 t80 -112.8 85.51 2.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.737 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 246' ' ' ALA . . . . . 0.461 ' C ' ' H ' ' C' ' 248' ' ' LYS . . . 63.69 61.67 0.98 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.817 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 247' ' ' GLY . . . . . 0.543 ' H ' ' HB3' ' D' ' 331' ' ' CYS . . . 73.95 -18.68 1.86 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 248' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' C' ' 246' ' ' ALA . 76.9 mttt -81.47 93.46 6.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.714 0.292 . . . . 0.0 110.64 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 249' ' ' GLN . . . . . 0.452 ' C ' ' NE2' ' C' ' 249' ' ' GLN . 0.7 OUTLIER -69.54 124.55 24.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.968 179.684 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 250' ' ' LEU . . . . . 0.441 ' C ' HE22 ' C' ' 249' ' ' GLN . 10.0 mt -85.08 137.74 32.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.929 0.395 . . . . 0.0 110.909 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.13 159.54 16.04 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.328 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -0.54 32.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.747 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -122.98 40.75 1.93 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -139.57 174.77 10.18 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 255' ' ' THR . . . . . 0.489 ' C ' ' H ' ' C' ' 257' ' ' SER . 19.1 p -118.47 159.63 23.16 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.688 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.34 2.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 257' ' ' SER . . . . . 0.489 ' H ' ' C ' ' C' ' 255' ' ' THR . 25.5 t -96.47 -32.88 12.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.549 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -74.43 15.98 0.3 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.567 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 259' ' ' TYR . . . . . 0.552 ' C ' HD22 ' C' ' 260' ' ' ASN . 69.7 m-85 -140.62 6.72 2.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.514 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 260' ' ' ASN . . . . . 0.618 HD22 ' N ' ' C' ' 260' ' ' ASN . 0.5 OUTLIER 57.68 28.17 15.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.719 179.851 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 91.9 mt -77.94 96.35 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.424 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -79.64 -157.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.754 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.62 161.77 21.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.718 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 52.43 24.37 2.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.593 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 24.2 m -85.48 134.68 34.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.571 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 6.7 m -82.25 151.42 26.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.425 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 8.7 mt -139.61 125.67 19.86 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.446 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 268' ' ' HIS . . . . . 0.638 ' ND1' ' N ' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -81.94 100.55 9.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.309 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 50.4 tp -82.6 133.81 35.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.806 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 270' ' ' VAL . . . . . 0.488 HG22 HD13 ' D' ' 336' ' ' LEU . 2.1 t -132.08 163.71 36.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.249 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 271' ' ' LEU . . . . . 0.598 ' N ' HD12 ' C' ' 271' ' ' LEU . 7.3 mp -101.39 98.25 8.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.357 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 -46.41 118.36 1.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.531 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 273' ' ' LEU . . . . . 0.509 HD13 ' CG ' ' D' ' 343' ' ' PHE . 34.6 mt -97.43 78.26 2.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.526 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.556 179.96 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 . . . . . 0 N--CA 1.461 0.112 0 CA-C-O 120.776 0.322 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -79.28 92.87 5.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.498 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 16.6 mt -94.34 32.5 1.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.493 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 43.9 p -74.84 6.79 3.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.612 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -147.47 73.59 1.29 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.664 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -133.82 158.53 43.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.387 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 319' ' ' LYS . . . . . 0.41 ' N ' ' CD ' ' D' ' 319' ' ' LYS . 3.5 mptp? -99.62 165.02 11.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.55 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 320' ' ' TYR . . . . . 0.476 ' CD1' ' C ' ' D' ' 320' ' ' TYR . 16.0 t80 -65.42 -47.37 76.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.509 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.22 89.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.642 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -64.77 -50.65 65.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.731 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 323' ' ' LEU . . . . . 0.574 HD21 ' CD ' ' D' ' 342' ' ' GLU . 14.7 mt -61.75 -56.0 24.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.597 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 324' ' ' ARG . . . . . 0.704 ' NH1' HD21 ' D' ' 328' ' ' ASN . 15.6 tpt85 -56.35 -43.18 78.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.546 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 325' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' D' ' 329' ' ' THR . 14.4 t70 -67.57 -46.09 73.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.505 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 326' ' ' THR . . . . . 0.479 ' O ' ' N ' ' D' ' 330' ' ' SER . 96.7 m -55.05 -41.02 70.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.49 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 327' ' ' ILE . . . . . 0.52 HG23 HD22 ' D' ' 336' ' ' LEU . 96.5 mt -73.51 -38.01 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.621 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 328' ' ' ASN . . . . . 0.704 HD21 ' NH1' ' D' ' 324' ' ' ARG . 0.8 OUTLIER -79.17 -21.9 45.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.6 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.47 ' N ' ' O ' ' D' ' 325' ' ' ASP . 68.2 p -103.5 -49.24 3.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.775 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 330' ' ' SER . . . . . 0.479 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.5 OUTLIER -79.07 178.33 8.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.924 -179.696 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 331' ' ' CYS . . . . . 0.543 ' HB3' ' H ' ' C' ' 247' ' ' GLY . 2.4 p -147.84 10.6 0.93 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.149 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -67.36 93.94 0.36 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.361 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . 0.6 ' HA ' HD12 ' D' ' 336' ' ' LEU . 2.1 mt -38.61 -41.2 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.891 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -57.83 -58.76 6.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.278 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 335' ' ' LEU . . . . . 0.501 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 11.1 mt -57.43 -39.21 75.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.057 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 336' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' D' ' 333' ' ' ILE . 95.7 mt -56.91 -42.47 79.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.135 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -66.15 -47.17 74.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.244 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 338' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' D' ' 341' ' ' GLU . . . -70.72 -32.81 70.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.371 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 339' ' ' CYS . . . . . 0.501 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 99.6 m -69.12 -45.21 70.74 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -65.79 -42.82 90.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.913 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 341' ' ' GLU . . . . . 0.462 ' CG ' ' N ' ' D' ' 342' ' ' GLU . 4.7 pt-20 -63.4 -45.19 92.15 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.636 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 342' ' ' GLU . . . . . 0.574 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.3 pt-20 -73.27 -36.59 66.37 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.444 -0.503 . . . . 0.0 110.182 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 343' ' ' PHE . . . . . 0.509 ' CG ' HD13 ' C' ' 273' ' ' LEU . 20.4 t80 -59.04 -40.01 83.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.185 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -75.71 -52.59 10.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.363 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 345' ' ' ARG . . . . . 0.468 HH21 ' CB ' ' D' ' 342' ' ' GLU . 0.5 OUTLIER -46.09 -43.16 14.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.191 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 9.0 mtp85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.559 179.914 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.814 0.34 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.69 92.88 4.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.56 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.521 HD13 ' OE1' ' A' ' 42' ' ' GLU . 9.7 mt -93.96 44.64 1.13 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.408 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.8 p -64.74 -25.94 68.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.801 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -155.05 112.83 3.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.711 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -135.61 179.47 6.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.15 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -116.58 158.53 23.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.424 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -59.49 -51.24 70.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.687 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.03 -44.35 92.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.77 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -55.04 -48.82 72.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.6 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.505 HD21 ' CD ' ' A' ' 42' ' ' GLU . 15.9 mt -62.28 -58.4 7.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.439 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.669 HH12 HH12 ' B' ' 142' ' ' ARG . 1.5 ttt85 -52.95 -49.36 66.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.338 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.527 ' OD2' ' CZ ' ' C' ' 245' ' ' PHE . 4.3 t70 -55.96 -50.59 70.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.214 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.529 ' O ' ' N ' ' A' ' 30' ' ' SER . 33.2 m -50.5 -44.74 56.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.363 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.653 HD11 ' SG ' ' A' ' 39' ' ' CYS . 86.4 mt -73.11 -39.31 56.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.635 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.681 HD22 ' N ' ' A' ' 28' ' ' ASN . 0.7 OUTLIER -77.76 -5.53 50.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.113 -179.427 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 25' ' ' ASP . 68.8 p -125.71 -53.94 1.55 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.031 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.4 t -65.3 170.45 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.056 0.455 . . . . 0.0 111.048 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.8 p -142.69 22.93 1.96 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.326 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.32 97.11 10.61 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.716 -179.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.439 ' N ' HD13 ' A' ' 33' ' ' ILE . 5.2 mm -39.34 -38.89 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.568 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.635 ' CD ' ' H ' ' A' ' 34' ' ' GLU . 6.5 mp0 -59.54 -59.02 6.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.387 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.7 mt -59.4 -39.71 84.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.265 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.4 mt -58.18 -43.92 87.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.41 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.3 -49.3 61.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.422 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.4 97.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.267 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.653 ' SG ' HD11 ' A' ' 27' ' ' ILE . 51.5 t -59.82 -53.48 57.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.047 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.661 ' HE ' ' CD1' ' B' ' 171' ' ' LEU . 16.6 mtp-105 -54.26 -42.68 70.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.183 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -56.32 -58.9 6.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.816 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.521 ' OE1' HD13 ' A' ' 15' ' ' LEU . 3.3 pt-20 -65.14 -37.52 87.68 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.756 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.579 ' CD1' HD13 ' B' ' 173' ' ' LEU . 11.9 t80 -58.75 -43.68 90.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.799 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -72.12 -55.6 7.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.434 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.456 ' O ' HG12 ' A' ' 49' ' ' VAL . 73.1 mtp180 -45.86 -45.28 14.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.584 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 67.7 mtt-85 -54.3 -28.02 39.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.54 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.3 mt -92.85 -49.04 6.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.567 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -56.3 -45.7 80.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.645 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.518 ' O ' HG13 ' A' ' 49' ' ' VAL . 7.4 p -45.17 119.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.614 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' VAL . 61.1 m-85 35.43 80.15 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.051 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.3 t60 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.565 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -94.13 117.93 30.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.61 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 21.8 pt -104.39 148.47 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.605 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -99.61 147.32 25.49 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.774 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 92.3 t -131.8 106.04 10.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.167 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -94.28 130.29 40.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.76 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 71.4 p -86.45 -156.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.504 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.952 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.5 OUTLIER -83.32 -37.08 23.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.408 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 6.3 p -77.54 -7.32 56.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.521 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 96.34 19.29 28.38 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -79.33 112.73 16.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.726 0.298 . . . . 0.0 110.511 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.6 m -92.02 139.76 30.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.697 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 1.4 mt -133.33 124.48 49.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.42 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 9.1 m -91.51 126.19 36.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.387 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 29.6 mt -131.49 131.74 43.69 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.925 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -78.93 124.19 28.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.191 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 16.5 m -147.44 177.73 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.908 0.385 . . . . 0.0 110.895 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.598 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 81.1 mt-10 -132.61 150.64 76.36 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.971 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.83 -23.12 2.27 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.511 2.141 . . . . 0.0 112.322 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.4 p -92.4 11.24 26.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.009 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . 0.598 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 6.6 m-20 -83.75 131.33 34.92 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.199 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . 0.535 ' OG1' ' ND2' ' B' ' 125' ' ' ASN . 4.6 p -84.33 134.63 34.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.849 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 29.1 mm -42.4 -33.33 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.144 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -64.85 -39.71 93.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.186 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.535 ' ND2' ' OG1' ' B' ' 122' ' ' THR . 56.8 m-80 -65.09 -39.59 93.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.936 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 21.2 t -64.05 -44.32 97.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.051 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -57.31 -38.03 73.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.096 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.68 -43.5 93.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.194 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -58.45 -49.52 77.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.316 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 30.3 mt -57.79 -49.93 79.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.269 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . 0.427 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.9 OUTLIER -50.34 -36.01 30.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.372 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -69.85 -30.65 68.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.434 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -77.5 -63.55 1.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.446 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -79.65 -83.33 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.513 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 156.66 13.11 0.05 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.512 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 52.3 mt -85.2 127.62 63.27 Favored Pre-proline 0 CA--C 1.533 0.294 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -56.23 149.68 53.4 Favored 'Trans proline' 0 C--N 1.314 -1.26 0 C-N-CA 121.673 1.582 . . . . 0.0 111.651 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -50.78 -36.28 51.26 Favored 'Trans proline' 0 C--N 1.31 -1.457 0 C-N-CA 122.318 2.012 . . . . 0.0 111.885 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . 0.468 ' C ' ' H ' ' B' ' 141' ' ' GLN . 52.6 t0 -69.26 -48.55 61.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.83 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -72.7 37.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.794 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . 0.512 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 79.4 mt-30 -134.39 156.33 48.71 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.626 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . 0.687 HH21 ' NE2' ' B' ' 149' ' ' GLN . 12.2 ttt85 -159.35 138.28 11.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.013 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.4 mt -121.16 136.83 54.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.078 0.466 . . . . 0.0 111.057 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.8 mt -126.86 140.74 48.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.148 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' B' ' 148' ' ' LYS . 50.6 t80 -148.01 153.14 38.58 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.663 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 41.64 26.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.688 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' B' ' 145' ' ' PHE . . . 72.66 43.46 43.38 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' B' ' 145' ' ' PHE . 34.8 mtmm -150.03 135.47 18.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.785 0.326 . . . . 0.0 110.594 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . 0.687 ' NE2' HH21 ' B' ' 142' ' ' ARG . 16.8 tt0 -75.41 125.69 29.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.362 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 15.1 mt -82.64 137.43 34.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.751 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . 0.461 ' OE1' ' NH2' ' B' ' 154' ' ' ARG . 33.8 mt-10 -81.23 160.54 24.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.487 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' B' ' 152' ' ' ASP . 0.0 OUTLIER -82.72 -17.48 44.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.66 -179.823 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -105.27 40.87 2.32 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.254 -0.739 . . . . 0.0 111.254 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . 0.461 ' NH2' ' OE1' ' B' ' 151' ' ' GLU . 30.4 mmt-85 -139.57 167.77 21.35 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 17.7 p -113.04 158.14 20.68 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.961 0.41 . . . . 0.0 110.822 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 91.9 mt -55.99 -26.83 50.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.634 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 9.7 t -69.66 -43.32 72.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.713 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -50.32 -42.11 52.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.708 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -86.42 5.23 36.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.578 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . 0.52 ' O ' ' NE2' ' B' ' 162' ' ' GLN . 7.1 m-80 62.94 15.15 8.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.801 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 69.8 mt -59.51 109.41 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.398 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' B' ' 160' ' ' ASN . 51.0 mm-40 -83.9 -156.98 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.766 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -85.76 157.25 20.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.77 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 56.58 31.48 19.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.809 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 36.4 m -82.35 136.7 34.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.561 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 4.0 m -88.47 108.77 19.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.615 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 12.1 mt -101.93 127.94 48.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.549 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 168' ' ' HIS . . . . . 0.648 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -83.55 115.95 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.25 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . 0.435 HD12 ' O ' ' B' ' 142' ' ' ARG . 33.0 tp -92.1 125.17 36.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.438 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.2 t -132.11 157.06 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.3 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.661 ' CD1' ' HE ' ' A' ' 40' ' ' ARG . 13.4 mt -83.0 121.15 26.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.641 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -75.79 61.55 1.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.522 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 173' ' ' LEU . . . . . 0.579 HD13 ' CD1' ' A' ' 43' ' ' PHE . 18.2 mt -43.85 104.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.595 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 174' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' B' ' 173' ' ' LEU . 20.5 mmm180 47.19 -175.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.537 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 173.04 -56.56 0.15 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 201' ' ' MET . . . . . 0.481 ' N ' ' O ' ' C' ' 217' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -87.35 122.23 30.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.422 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 21.1 pt -111.5 148.74 14.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.762 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -98.35 139.34 34.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.543 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 62.9 t -125.63 112.87 32.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.437 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -80.29 118.7 22.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.506 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 207' ' ' THR . . . . . 0.46 HG23 ' O ' ' C' ' 211' ' ' LYS . 29.9 p -72.2 -165.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.417 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 208' ' ' LEU . . . . . 0.981 ' H ' HD22 ' C' ' 208' ' ' LEU . 0.5 OUTLIER -81.09 -54.77 5.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.464 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 82.8 p -57.54 -47.28 82.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.463 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 145.75 8.4 0.32 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 211' ' ' LYS . . . . . 0.46 ' O ' HG23 ' C' ' 207' ' ' THR . 81.0 tttt -83.95 120.85 26.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.799 0.333 . . . . 0.0 110.627 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 22.6 m -85.61 156.1 20.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.461 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 2.4 mt -138.67 127.27 29.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.655 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 32.4 m -96.47 111.44 23.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.195 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 21.0 mt -116.05 135.13 54.23 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.998 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 216' ' ' GLU . . . . . 0.495 ' O ' ' NZ ' ' C' ' 229' ' ' LYS . 57.7 mt-10 -79.95 122.38 26.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.092 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 217' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' C' ' 201' ' ' MET . 9.4 m -146.8 169.41 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.951 0.405 . . . . 0.0 111.039 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 218' ' ' GLU . . . . . 0.615 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 71.4 mt-10 -123.19 150.37 59.75 Favored Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.939 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.14 -24.42 2.38 Favored 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.577 2.184 . . . . 0.0 112.457 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 3.4 p -84.77 -25.42 28.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.049 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 221' ' ' ASP . . . . . 0.615 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 9.6 m-20 -44.33 135.44 4.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.953 0.406 . . . . 0.0 110.658 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 222' ' ' THR . . . . . 0.475 ' O ' ' N ' ' C' ' 225' ' ' ASN . 18.2 p -89.76 137.15 32.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.574 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 223' ' ' ILE . . . . . 0.449 HG22 ' NZ ' ' C' ' 227' ' ' LYS . 21.1 mm -40.74 -53.02 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.557 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -50.41 -35.91 30.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.257 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 225' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' C' ' 222' ' ' THR . 0.9 OUTLIER -65.46 -39.71 92.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.029 179.43 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.34 -44.42 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.855 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 227' ' ' LYS . . . . . 0.449 ' NZ ' HG22 ' C' ' 223' ' ' ILE . 42.4 mttp -57.17 -38.97 74.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.021 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.33 -41.22 98.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.12 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 229' ' ' LYS . . . . . 0.495 ' NZ ' ' O ' ' C' ' 216' ' ' GLU . 54.0 mttt -60.48 -43.8 96.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.094 179.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 59.5 mt -67.35 -21.86 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.452 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -76.37 -32.07 58.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.138 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -77.39 -30.89 53.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.423 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -82.58 -55.51 4.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -83.96 -101.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.514 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 235' ' ' GLY . . . . . 0.446 ' H ' ' H ' ' C' ' 236' ' ' ILE . . . 172.01 8.21 0.02 OUTLIER Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 236' ' ' ILE . . . . . 0.535 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 55.8 mt -87.95 120.17 70.69 Favored Pre-proline 0 C--N 1.328 -0.338 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.11 149.37 85.17 Favored 'Trans proline' 0 C--N 1.315 -1.21 0 C-N-CA 121.46 1.44 . . . . 0.0 111.576 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 238' ' ' PRO . . . . . 0.492 ' C ' ' H ' ' C' ' 240' ' ' GLN . 2.7 Cg_endo -49.94 -55.55 4.0 Favored 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.296 1.997 . . . . 0.0 111.822 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -50.78 -9.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.699 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 240' ' ' GLN . . . . . 0.492 ' H ' ' C ' ' C' ' 238' ' ' PRO . 25.8 mt-30 -119.56 31.15 6.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.503 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 241' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 72.2 mt-30 -134.41 169.72 16.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.622 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 242' ' ' ARG . . . . . 0.64 HH12 ' ND2' ' D' ' 328' ' ' ASN . 4.0 ttt180 -170.4 150.37 3.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.906 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 15.2 mt -128.12 132.33 48.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.112 0.482 . . . . 0.0 110.909 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.7 mt -128.54 120.35 52.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.276 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 245' ' ' PHE . . . . . 0.527 ' CZ ' ' OD2' ' A' ' 25' ' ' ASP . 34.1 t80 -107.83 78.09 1.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.708 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 246' ' ' ALA . . . . . 0.482 ' C ' ' H ' ' C' ' 248' ' ' LYS . . . 68.7 67.29 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 247' ' ' GLY . . . . . 0.512 ' H ' ' HB3' ' D' ' 331' ' ' CYS . . . 70.13 -15.52 1.02 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 248' ' ' LYS . . . . . 0.482 ' H ' ' C ' ' C' ' 246' ' ' ALA . 46.1 mtmt -86.63 93.11 9.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.738 0.304 . . . . 0.0 110.75 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -70.98 127.01 31.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.173 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 9.5 mt -86.44 138.4 31.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.879 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -85.02 159.16 20.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.548 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 252' ' ' ASP . . . . . 0.437 ' OD2' ' NH2' ' C' ' 272' ' ' ARG . 0.4 OUTLIER -80.72 -1.32 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.853 -179.776 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -122.91 38.42 2.52 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.03 176.05 9.04 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 255' ' ' THR . . . . . 0.495 ' C ' ' H ' ' C' ' 257' ' ' SER . 20.6 p -119.23 158.4 26.08 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.601 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 93.6 mt -60.26 -0.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.581 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 257' ' ' SER . . . . . 0.495 ' H ' ' C ' ' C' ' 255' ' ' THR . 44.7 t -96.23 -22.4 17.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.618 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -79.78 12.81 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.641 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -140.62 7.66 2.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.598 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 4.0 m120 59.63 23.64 12.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.729 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 79.6 mt -71.14 103.02 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.446 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -81.57 -157.75 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.729 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -84.22 157.04 21.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.668 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 57.31 34.27 24.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.811 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 35.5 m -88.77 135.53 33.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.637 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 19.2 m -89.49 118.05 28.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.445 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 10.9 mt -110.29 124.77 52.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.79 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 268' ' ' HIS . . . . . 0.577 ' ND1' ' N ' ' C' ' 268' ' ' HIS . 0.7 OUTLIER -77.69 109.85 12.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.267 179.722 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 13.0 tp -78.81 142.86 36.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.756 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 270' ' ' VAL . . . . . 0.662 HG12 ' H ' ' C' ' 271' ' ' LEU . 6.4 t -145.95 173.36 3.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.384 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 271' ' ' LEU . . . . . 0.662 ' H ' HG12 ' C' ' 270' ' ' VAL . 50.8 mt -110.82 122.88 48.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.513 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 272' ' ' ARG . . . . . 0.437 ' NH2' ' OD2' ' C' ' 252' ' ' ASP . 17.9 ttm180 -84.6 110.62 18.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.615 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 273' ' ' LEU . . . . . 0.415 ' CD1' ' CG ' ' D' ' 343' ' ' PHE . 9.0 mt -82.1 143.86 31.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.64 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.59 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 313' ' ' TYR . . . . . 0.475 ' CD1' ' N ' ' D' ' 313' ' ' TYR . 8.3 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.727 0.298 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -80.1 92.78 5.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.465 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 12.2 mt -101.62 45.29 0.97 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.505 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 15.0 m -82.98 -8.32 59.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.785 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -136.05 74.99 1.53 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.738 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -129.96 165.86 21.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.354 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -110.28 164.2 12.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.629 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -61.85 -49.59 75.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.448 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -61.44 -42.57 98.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.71 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -57.99 -54.81 42.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.693 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 323' ' ' LEU . . . . . 0.533 HD21 ' CD ' ' D' ' 342' ' ' GLU . 14.2 mt -58.3 -60.34 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.561 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 324' ' ' ARG . . . . . 0.516 ' O ' ' ND2' ' D' ' 328' ' ' ASN . 8.3 tpt180 -53.0 -41.7 64.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.473 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 325' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' D' ' 329' ' ' THR . 5.1 t70 -65.5 -47.62 75.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.561 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 326' ' ' THR . . . . . 0.56 ' O ' ' N ' ' D' ' 330' ' ' SER . 57.2 m -53.37 -47.82 69.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.697 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 88.4 mt -70.93 -31.44 45.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.561 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 328' ' ' ASN . . . . . 0.64 ' ND2' HH12 ' C' ' 242' ' ' ARG . 0.8 OUTLIER -87.7 -4.62 58.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.572 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.445 ' N ' ' O ' ' D' ' 325' ' ' ASP . 71.4 p -127.41 -15.88 5.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.947 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 330' ' ' SER . . . . . 0.56 ' N ' ' O ' ' D' ' 326' ' ' THR . 1.9 t -114.36 165.48 12.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.062 0.458 . . . . 0.0 110.815 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 331' ' ' CYS . . . . . 0.512 ' HB3' ' H ' ' C' ' 247' ' ' GLY . 8.9 p -134.61 11.82 3.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.986 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.44 90.89 0.54 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.446 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . 0.691 ' HA ' HD12 ' D' ' 336' ' ' LEU . 2.7 mt -38.0 -38.51 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.856 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -59.05 -58.34 9.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.214 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.26 -44.2 95.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.163 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 336' ' ' LEU . . . . . 0.691 HD12 ' HA ' ' D' ' 333' ' ' ILE . 71.0 mt -50.54 -45.04 56.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.335 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -67.96 -45.89 72.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.483 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -61.43 -46.57 89.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.625 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 339' ' ' CYS . . . . . . . . . . . . . 84.0 m -61.43 -53.28 58.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.364 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 340' ' ' ARG . . . . . 0.496 ' HD2' ' H ' ' C' ' 271' ' ' LEU . 7.2 mtp180 -55.86 -35.32 66.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.266 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -64.35 -53.4 49.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.607 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 342' ' ' GLU . . . . . 0.533 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.5 pt-20 -67.42 -35.9 80.17 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.55 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 343' ' ' PHE . . . . . 0.415 ' CG ' ' CD1' ' C' ' 273' ' ' LEU . 1.7 t80 -60.64 -45.06 95.5 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.295 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 42.2 m170 -67.5 -53.39 29.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.392 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -45.89 -55.47 6.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.407 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 74.5 mtt-85 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.448 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.791 0.329 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 22.6 p30 -78.97 92.84 4.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.492 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.426 ' O ' ' OE2' ' A' ' 42' ' ' GLU . 20.7 mt -100.1 44.98 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.67 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.9 m -90.1 -26.41 20.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.698 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -97.87 40.55 1.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.775 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -110.28 165.36 11.83 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.559 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.518 ' N ' ' OE1' ' A' ' 22' ' ' GLU . 41.0 mttm -115.02 167.57 10.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.581 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -62.18 -48.31 80.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.378 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.6 -38.7 91.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.741 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 19' ' ' LYS . 79.4 mt-10 -62.17 -56.71 16.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.757 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.531 HD21 ' CD ' ' A' ' 42' ' ' GLU . 14.6 mt -56.07 -56.21 23.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.699 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -53.03 -53.25 52.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.548 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 29' ' ' THR . 17.4 m-20 -52.81 -51.09 62.19 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.49 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.624 ' O ' ' N ' ' A' ' 30' ' ' SER . 38.6 m -51.32 -56.69 11.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.528 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.2 mt -59.61 -25.85 32.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.437 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.419 HD22 ' N ' ' A' ' 28' ' ' ASN . 1.7 m-80 -95.38 -5.64 42.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.283 -179.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 25' ' ' ASP . 30.5 p -135.16 3.61 3.15 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.228 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.624 ' N ' ' O ' ' A' ' 26' ' ' THR . 7.0 t -115.16 167.28 10.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.97 0.414 . . . . 0.0 110.88 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.442 ' SG ' ' C ' ' B' ' 147' ' ' GLY . 75.3 m -144.22 36.38 1.23 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.363 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.45 107.23 16.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.572 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.486 ' N ' HD13 ' A' ' 33' ' ' ILE . 3.4 mm -41.98 -42.39 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.5 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.63 -58.33 9.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.441 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.494 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 40.7 mt -58.69 -46.54 87.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.287 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.8 mt -58.05 -48.1 81.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.364 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.43 -49.15 64.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.685 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.33 -42.71 99.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.563 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 70.7 m -60.36 -49.46 77.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.562 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.569 ' HE ' HD21 ' B' ' 173' ' ' LEU . 16.9 mtp-105 -64.64 -32.18 73.73 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.458 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -62.64 -54.98 31.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.443 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.531 ' CD ' HD21 ' A' ' 23' ' ' LEU . 4.0 pt-20 -64.39 -36.3 83.69 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.447 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.446 ' CG ' HD12 ' B' ' 173' ' ' LEU . 1.8 t80 -57.49 -51.48 69.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.119 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.504 ' CE1' ' NH2' ' A' ' 40' ' ' ARG . 16.6 m170 -62.57 -49.16 76.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.287 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.99 -39.85 42.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.236 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.413 ' NH1' ' HE2' ' A' ' 51' ' ' HIS . 8.8 mtp85 -63.87 -43.51 95.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.664 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.45 -21.21 61.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.418 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -76.04 -58.19 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.471 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.1 m -75.1 -156.39 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.542 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.438 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 27.2 p90 -151.4 117.55 5.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.531 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.413 ' HE2' ' NH1' ' A' ' 46' ' ' ARG . 37.1 m80 . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.57 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.528 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -93.99 107.68 19.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.629 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 17.8 pt -99.1 148.09 6.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.533 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . 0.429 ' HD1' ' HG1' ' B' ' 114' ' ' THR . 67.2 m-85 -103.29 146.06 29.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.573 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 46.2 t -126.95 104.16 12.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.181 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.26 158.82 27.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.649 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 39.9 p -126.94 -175.94 3.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.291 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.89 HD22 ' H ' ' B' ' 108' ' ' LEU . 1.2 mm? -76.66 -33.7 58.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.403 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 33.7 p -79.2 9.24 4.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.572 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 86.61 -28.85 5.15 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -45.83 160.66 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 110.522 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . 0.425 HG22 ' N ' ' B' ' 113' ' ' ILE . 16.7 m -142.35 159.0 43.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.47 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.425 ' N ' HG22 ' B' ' 112' ' ' THR . 2.6 mt -140.39 128.2 24.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.696 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . 0.429 ' HG1' ' HD1' ' B' ' 104' ' ' PHE . 5.8 m -100.46 124.49 46.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.248 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.416 HD22 ' NZ ' ' B' ' 133' ' ' LYS . 28.1 mt -130.2 136.11 48.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.885 0.374 . . . . 0.0 110.822 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -81.79 124.73 29.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.155 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' B' ' 101' ' ' MET . 9.2 m -147.05 -175.81 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.919 0.39 . . . . 0.0 110.868 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.594 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 14.6 mm-40 -132.23 147.4 65.59 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.918 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.77 -18.3 0.51 Allowed 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 122.419 2.079 . . . . 0.0 112.211 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 3.6 p -89.29 -24.33 22.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.852 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . 0.594 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 1.2 m-20 -45.18 139.07 3.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.99 0.424 . . . . 0.0 110.66 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . 0.458 ' O ' ' N ' ' B' ' 125' ' ' ASN . 19.2 p -89.68 135.68 33.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.698 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 20.8 mm -42.69 -47.69 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.316 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -53.67 -37.11 62.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.102 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.504 ' OD1' ' NZ ' ' B' ' 129' ' ' LYS . 38.2 t-20 -64.94 -40.59 95.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.191 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 85.5 t -63.11 -45.56 98.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.155 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -56.85 -39.11 73.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.113 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . 0.417 ' O ' ' OD1' ' B' ' 132' ' ' ASP . . . -63.22 -44.82 94.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.295 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.504 ' NZ ' ' OD1' ' B' ' 125' ' ' ASN . 49.2 mttp -57.83 -52.46 65.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.324 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 87.1 mt -55.0 -43.7 70.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.414 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . 0.435 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.8 OUTLIER -57.3 -29.56 64.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.226 179.694 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' B' ' 128' ' ' ALA . 3.8 m-20 -72.5 -40.38 66.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.471 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . 0.416 ' NZ ' HD22 ' B' ' 115' ' ' LEU . 11.7 mptt -70.69 -64.27 0.93 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.305 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -78.68 -83.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.605 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 158.5 -7.49 0.17 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 48.6 mt -56.45 114.55 7.97 Favored Pre-proline 0 C--N 1.328 -0.355 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -62.15 147.68 94.61 Favored 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 121.467 1.445 . . . . 0.0 111.479 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.486 ' C ' ' H ' ' B' ' 140' ' ' GLN . 2.8 Cg_endo -49.77 -41.21 47.01 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.262 1.974 . . . . 0.0 111.801 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.34 10.99 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.72 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.486 ' H ' ' C ' ' B' ' 138' ' ' PRO . 60.7 mt-30 -141.23 41.96 1.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.478 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -134.43 166.12 23.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.653 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . 0.526 ' NH2' ' OE1' ' B' ' 149' ' ' GLN . 34.9 ttt85 -170.04 108.05 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.32 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 16.3 mt -95.6 135.58 37.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.02 0.438 . . . . 0.0 111.074 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.7 mt -128.16 141.97 45.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.075 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . 0.5 ' C ' ' H ' ' B' ' 147' ' ' GLY . 39.5 t80 -158.01 147.21 19.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.922 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' B' ' 145' ' ' PHE . . . 66.88 -9.98 0.33 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.285 179.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . 0.5 ' H ' ' C ' ' B' ' 145' ' ' PHE . . . 110.08 24.02 5.89 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -146.04 157.07 43.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.905 0.384 . . . . 0.0 110.629 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . 0.526 ' OE1' ' NH2' ' B' ' 142' ' ' ARG . 34.8 tt0 -84.7 135.89 33.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.353 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 12.9 mt -86.27 130.82 34.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.637 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . 0.417 ' CD ' ' H ' ' B' ' 152' ' ' ASP . 1.3 tm-20 -73.61 159.57 32.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.424 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . 0.417 ' H ' ' CD ' ' B' ' 151' ' ' GLU . 1.7 m-20 -78.15 -40.36 38.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.719 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -85.48 45.66 3.53 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 22.7 mmt-85 -139.74 174.25 10.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.686 0.279 . . . . 0.0 110.412 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 31.0 p -119.92 166.91 12.7 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.902 0.382 . . . . 0.0 110.825 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.2 -0.84 3.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.695 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . 0.437 ' C ' ' H ' ' B' ' 159' ' ' TYR . 46.0 t -93.4 -33.76 13.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.635 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.63 15.46 0.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.636 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . 0.437 ' H ' ' C ' ' B' ' 157' ' ' SER . 59.5 m-85 -140.74 8.67 2.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.507 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . 0.578 HD22 ' N ' ' B' ' 160' ' ' ASN . 1.7 m120 55.85 30.01 15.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.795 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 97.0 mt -81.17 99.99 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.453 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -82.65 -157.47 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.704 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -82.97 161.58 21.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.764 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 54.26 18.01 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.527 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 18.1 m -81.23 133.79 35.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.536 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 166' ' ' THR . . . . . 0.469 ' O ' ' CD1' ' B' ' 145' ' ' PHE . 5.9 m -81.86 154.76 25.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.604 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.2 mt -139.62 114.97 9.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.124 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 168' ' ' HIS . . . . . 0.635 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.1 OUTLIER -69.74 116.99 10.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.433 -179.801 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.87 127.48 41.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.553 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 1.4 t -136.35 140.29 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.276 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.876 ' H ' HD22 ' B' ' 171' ' ' LEU . 0.3 OUTLIER -91.56 136.09 33.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.745 -179.476 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -89.78 97.85 11.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.394 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 173' ' ' LEU . . . . . 0.569 HD21 ' HE ' ' A' ' 40' ' ' ARG . 16.2 mt -61.11 128.95 38.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.532 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -75.28 141.64 43.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.564 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 173.47 152.93 9.2 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 201' ' ' MET . . . . . 0.515 ' N ' ' O ' ' C' ' 217' ' ' VAL . 1.9 ptt? . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -89.92 111.37 22.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.604 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 6.1 pt -103.74 150.16 7.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.65 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -94.56 149.93 20.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.336 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 71.5 t -136.85 106.54 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.352 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 206' ' ' LYS . . . . . 0.446 ' NZ ' ' CB ' ' C' ' 206' ' ' LYS . 7.2 mtpm? -91.89 140.61 29.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.643 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 58.3 p -89.24 -168.26 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.23 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 208' ' ' LEU . . . . . 0.946 ' H ' HD22 ' C' ' 208' ' ' LEU . 0.4 OUTLIER -86.56 23.12 1.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.467 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 17.7 p -136.51 -38.95 0.66 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.446 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 141.64 -0.73 1.71 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -69.52 111.56 5.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.645 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 22.6 m -97.32 141.71 30.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.516 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.86 127.06 55.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.633 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 23.0 m -91.78 112.39 24.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.185 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 17.8 mt -111.33 129.08 56.11 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.052 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -85.03 112.22 20.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.031 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 217' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' C' ' 201' ' ' MET . 23.6 m -137.5 -162.05 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.026 0.441 . . . . 0.0 111.001 -179.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 218' ' ' GLU . . . . . 0.524 ' N ' ' OD2' ' C' ' 221' ' ' ASP . 6.5 mt-10 -141.01 170.37 9.56 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.615 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -74.51 -14.64 22.34 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 C-N-CA 122.351 2.034 . . . . 0.0 112.499 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 8.3 t -100.09 -11.04 20.86 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.924 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 221' ' ' ASP . . . . . 0.524 ' OD2' ' N ' ' C' ' 218' ' ' GLU . 45.6 m-20 -59.88 142.55 53.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.935 0.397 . . . . 0.0 110.533 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 23.4 p -84.61 135.81 34.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 23.8 mm -45.96 -49.49 4.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.263 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -50.27 -40.99 49.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.294 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 225' ' ' ASN . . . . . 0.501 ' OD1' ' NZ ' ' C' ' 229' ' ' LYS . 44.6 t-20 -62.63 -36.64 83.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.026 179.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 16.5 t -64.85 -51.75 63.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.023 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -51.65 -38.14 53.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.14 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.91 -43.91 94.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.196 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 229' ' ' LYS . . . . . 0.501 ' NZ ' ' OD1' ' C' ' 225' ' ' ASN . 38.6 mttp -57.68 -39.84 78.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.005 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 9.0 mt -67.17 -34.95 72.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.0 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.61 -29.2 70.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.143 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -79.78 -30.68 40.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.496 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 48.5 mmtt -77.55 -62.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.674 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -87.44 -107.32 0.07 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.706 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -171.96 17.17 0.05 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 236' ' ' ILE . . . . . 0.495 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 18.0 mt -91.65 112.92 56.88 Favored Pre-proline 0 CA--C 1.532 0.27 0 N-CA-C 110.472 -0.196 . . . . 0.0 110.472 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -63.4 152.72 78.67 Favored 'Trans proline' 0 C--N 1.314 -1.249 0 C-N-CA 121.611 1.541 . . . . 0.0 111.662 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 238' ' ' PRO . . . . . 0.525 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.7 Cg_endo -47.34 -66.18 0.15 Allowed 'Trans proline' 0 C--N 1.31 -1.499 0 C-N-CA 122.608 2.206 . . . . 0.0 111.923 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -42.38 -20.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.732 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 240' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' C' ' 238' ' ' PRO . 67.3 mt-30 -108.57 34.23 3.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.631 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 241' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' C' ' 238' ' ' PRO . 61.4 mt-30 -134.56 162.64 31.72 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.649 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 242' ' ' ARG . . . . . . . . . . . . . 43.7 ttt85 -170.2 109.02 0.37 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.98 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 22.0 mt -93.13 137.85 32.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.138 0.494 . . . . 0.0 111.255 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 244' ' ' ILE . . . . . 0.448 HG21 ' SG ' ' D' ' 331' ' ' CYS . 1.7 mt -125.07 145.82 31.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.679 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 245' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -132.45 72.92 1.5 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.841 0.353 . . . . 0.0 111.222 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 60.11 87.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.073 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 247' ' ' GLY . . . . . . . . . . . . . . . 50.95 37.86 36.98 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -149.8 92.65 1.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.738 0.304 . . . . 0.0 110.645 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 249' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' C' ' 250' ' ' LEU . 20.3 tm0? -70.28 121.14 17.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.045 179.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 250' ' ' LEU . . . . . 0.522 ' O ' ' NE2' ' C' ' 249' ' ' GLN . 10.2 mt -76.75 123.19 25.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.337 . . . . 0.0 110.881 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -72.82 159.48 33.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.318 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 252' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' C' ' 252' ' ' ASP . 0.4 OUTLIER -79.69 -36.43 37.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.974 -179.751 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -90.07 38.9 3.15 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -139.68 -179.7 6.07 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 255' ' ' THR . . . . . 0.478 ' HG1' ' HG ' ' C' ' 257' ' ' SER . 82.7 p -118.4 175.45 5.71 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.826 0.346 . . . . 0.0 110.777 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 70.3 mt -76.43 1.51 16.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.777 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 257' ' ' SER . . . . . 0.494 ' C ' ' H ' ' C' ' 259' ' ' TYR . 2.9 p -93.86 -33.37 13.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.757 0.313 . . . . 0.0 110.637 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -70.15 14.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.638 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 259' ' ' TYR . . . . . 0.494 ' H ' ' C ' ' C' ' 257' ' ' SER . 76.3 m-85 -140.61 9.76 2.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.548 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 260' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' C' ' 260' ' ' ASN . 7.7 t30 51.23 38.05 20.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.745 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 80.9 mt -84.33 103.63 11.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.479 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -81.62 -158.83 0.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.637 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -85.2 157.66 20.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.633 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 58.42 26.52 14.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.8 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 30.6 m -82.14 137.16 35.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.541 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 3.6 m -83.26 120.06 25.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.644 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 3.3 mp -114.35 127.02 55.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.219 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 268' ' ' HIS . . . . . 0.683 ' ND1' ' N ' ' C' ' 268' ' ' HIS . 0.0 OUTLIER -84.9 116.93 23.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.253 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 19.1 tp -93.0 116.92 29.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.386 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -122.77 134.41 66.03 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 271' ' ' LEU . . . . . 0.625 ' N ' HD12 ' C' ' 271' ' ' LEU . 8.1 mp -74.63 108.41 7.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.671 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 272' ' ' ARG . . . . . 0.632 ' NE ' HH22 ' D' ' 324' ' ' ARG . 39.5 ttt180 -67.64 100.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.532 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 273' ' ' LEU . . . . . 0.421 HD13 ' CD1' ' D' ' 343' ' ' PHE . 22.3 mt -79.63 91.79 5.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.613 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.622 179.926 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.766 0.317 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -79.53 92.96 5.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.578 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 14.6 mt -104.64 31.39 4.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.553 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 27.5 p -82.53 18.56 1.46 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.654 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -146.13 40.95 1.16 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.635 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -108.94 174.69 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.519 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -118.02 167.04 11.82 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.61 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -60.8 -48.28 82.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.529 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -66.41 -41.12 89.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -57.8 -49.36 76.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.74 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 323' ' ' LEU . . . . . 0.587 HD21 ' CD ' ' D' ' 342' ' ' GLU . 14.5 mt -65.13 -56.77 11.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.704 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 324' ' ' ARG . . . . . 0.632 HH22 ' NE ' ' C' ' 272' ' ' ARG . 2.6 ttt85 -53.08 -44.76 67.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.66 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 325' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' D' ' 329' ' ' THR . 8.9 m-20 -58.96 -50.63 73.34 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.357 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 326' ' ' THR . . . . . 0.54 ' O ' ' N ' ' D' ' 330' ' ' SER . 19.1 m -53.33 -44.32 68.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.511 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 79.5 mt -74.82 -28.52 21.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.516 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 328' ' ' ASN . . . . . 0.533 HD22 ' N ' ' D' ' 328' ' ' ASN . 1.1 m-80 -92.06 -1.74 57.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.036 -179.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.467 ' N ' ' O ' ' D' ' 325' ' ' ASP . 80.7 p -132.85 -46.14 0.87 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.152 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 330' ' ' SER . . . . . 0.54 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.7 OUTLIER -71.66 170.59 13.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.114 0.483 . . . . 0.0 111.214 -179.39 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 331' ' ' CYS . . . . . 0.448 ' SG ' HG21 ' C' ' 244' ' ' ILE . 90.6 m -147.54 40.23 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.388 -179.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.05 99.24 8.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.583 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . 0.408 ' N ' HD13 ' D' ' 333' ' ' ILE . 6.1 mm -38.66 -37.98 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.635 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -61.19 -58.78 6.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.28 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 335' ' ' LEU . . . . . 0.486 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 12.0 mt -60.19 -49.18 78.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.259 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 73.2 mt -50.45 -45.37 55.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.486 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -64.65 -49.26 71.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.648 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -61.09 -43.98 98.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.39 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 339' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 67.4 m -57.03 -53.45 57.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.298 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 12.8 mtp85 -55.96 -43.44 77.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.456 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -54.95 -58.5 7.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 342' ' ' GLU . . . . . 0.587 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.6 pt-20 -63.61 -34.34 77.6 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.854 -179.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 343' ' ' PHE . . . . . 0.421 ' CD1' HD13 ' C' ' 273' ' ' LEU . 2.4 t80 -63.71 -43.14 97.44 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.539 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -68.28 -47.97 66.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -52.05 -54.69 27.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.31 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.57 179.903 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.805 0.336 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -79.5 92.83 5.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.618 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.1 mt -97.41 45.14 1.04 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.464 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.3 m -82.76 15.59 2.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -171.24 82.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.929 0.395 . . . . 0.0 110.757 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -131.17 161.4 32.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.225 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.5 mttm -108.5 168.51 9.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.777 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 16.8 t80 -65.79 -47.16 76.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.52 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.81 -34.63 76.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.677 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -68.96 -55.01 12.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.652 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.569 HD21 ' CD ' ' A' ' 42' ' ' GLU . 14.8 mt -57.86 -55.7 31.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.585 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.671 HH21 ' NH1' ' B' ' 172' ' ' ARG . 7.0 tpt85 -54.76 -49.55 70.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.431 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.531 ' OD2' ' CE2' ' C' ' 245' ' ' PHE . 3.9 t70 -57.9 -49.65 76.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.423 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.471 ' O ' ' CB ' ' A' ' 30' ' ' SER . 19.0 m -52.77 -43.51 65.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.662 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.4 mt -76.23 -23.6 15.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.677 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 1.9 m-80 -99.32 0.83 43.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.022 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 25' ' ' ASP . 75.9 p -133.46 -24.12 1.82 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.005 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 26' ' ' THR . 0.9 OUTLIER -103.43 157.96 16.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.891 0.377 . . . . 0.0 110.925 -179.751 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.55 ' SG ' ' CG ' ' B' ' 168' ' ' HIS . 29.0 t -129.5 29.47 5.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.355 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.1 m-20 -90.76 93.46 9.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.45 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.638 ' HA ' HD12 ' A' ' 36' ' ' LEU . 3.0 mt -38.73 -40.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.783 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -57.47 -58.91 6.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.308 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.3 mt -58.72 -43.34 90.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.041 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 33' ' ' ILE . 81.5 mt -52.71 -43.7 65.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.17 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.1 -49.07 68.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.325 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.85 94.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.415 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 85.0 m -61.6 -53.54 54.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.282 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.483 HH21 HD22 ' B' ' 171' ' ' LEU . 17.4 mtp-105 -53.62 -39.13 64.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.307 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -61.2 -60.26 4.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.667 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.569 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.9 pt-20 -62.79 -36.23 82.43 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.485 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.469 ' CG ' HD13 ' B' ' 173' ' ' LEU . 12.3 t80 -59.5 -41.2 89.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.428 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -72.91 -55.04 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.535 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -45.86 -45.72 15.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.591 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -52.39 -33.2 42.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.42 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.4 mt -86.78 -33.82 19.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.482 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -80.36 -72.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.624 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.43 ' H ' HG22 ' A' ' 49' ' ' VAL . 6.3 m -90.91 177.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.574 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' VAL . 95.0 m-85 37.38 65.0 0.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 6.2 p-80 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.007 -0.996 . . . . 0.0 110.503 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.513 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -90.44 120.04 31.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.577 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 21.6 pt -106.91 148.87 10.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.626 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -102.09 146.06 28.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.546 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 31.6 t -129.98 106.71 13.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.185 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . 0.515 ' NZ ' ' OG1' ' B' ' 112' ' ' THR . 34.7 mttm -95.49 131.39 41.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.64 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 21.7 p -95.81 -150.07 0.32 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.42 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.942 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.4 OUTLIER -85.6 -46.1 11.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.439 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 50.3 p -70.51 11.99 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.547 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' B' ' 108' ' ' LEU . . . 73.97 12.74 81.21 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -72.67 119.25 16.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.762 0.315 . . . . 0.0 110.551 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . 0.515 ' OG1' ' NZ ' ' B' ' 106' ' ' LYS . 8.8 m -99.39 142.77 30.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.481 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 1.3 mt -133.09 124.69 50.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.541 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 6.4 m -94.15 125.13 38.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.254 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 27.3 mt -130.44 130.62 44.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.855 0.36 . . . . 0.0 110.861 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -77.31 121.4 23.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.119 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' B' ' 101' ' ' MET . 11.0 m -146.82 -175.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.916 -179.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.51 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 23.9 mm-40 -142.83 150.48 53.55 Favored Pre-proline 0 CA--C 1.53 0.204 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.178 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -46.71 -9.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.73 2.287 . . . . 0.0 112.47 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . 0.497 ' N ' ' O ' ' B' ' 118' ' ' GLU . 2.2 p -96.88 -30.83 12.91 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.972 -0.291 . . . . 0.0 110.929 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . 0.51 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 2.4 m-20 -43.85 139.45 2.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.995 0.426 . . . . 0.0 110.822 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 67.6 p -87.86 138.31 31.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.516 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 22.3 mm -46.48 -44.78 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.378 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -56.42 -38.19 71.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.392 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.49 HD22 ' C ' ' B' ' 125' ' ' ASN . 0.2 OUTLIER -64.01 -41.35 97.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.05 179.554 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 46.2 t -62.23 -44.02 98.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.943 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . 0.51 ' NZ ' ' O ' ' B' ' 141' ' ' GLN . 55.4 mttm -56.77 -40.74 76.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.058 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.37 98.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.29 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.426 ' HB3' ' HZ3' ' B' ' 133' ' ' LYS . 58.5 mttm -58.13 -50.39 73.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.377 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 67.0 mt -57.05 -49.01 80.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.391 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . 0.593 ' N ' HE22 ' B' ' 141' ' ' GLN . 1.0 OUTLIER -53.11 -30.72 38.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.343 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -71.05 -42.0 70.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.437 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . 0.426 ' HZ3' ' HB3' ' B' ' 129' ' ' LYS . 11.9 mptt -69.53 -64.08 0.95 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.24 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -77.11 -89.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.562 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . 0.41 ' H ' ' H ' ' B' ' 136' ' ' ILE . . . 161.41 5.01 0.05 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.532 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 37.6 mt -74.87 128.09 85.84 Favored Pre-proline 0 C--N 1.33 -0.28 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -56.04 150.15 49.06 Favored 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 121.666 1.577 . . . . 0.0 111.67 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -50.11 -39.37 51.27 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.336 2.024 . . . . 0.0 111.966 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.88 -44.65 80.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -79.15 31.36 0.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . 0.593 HE22 ' N ' ' B' ' 131' ' ' GLN . 66.7 mt-30 -129.78 82.98 2.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.499 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . 0.663 HH21 ' NH2' ' A' ' 24' ' ' ARG . 31.5 ttm-85 -90.05 113.86 25.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.588 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.401 HD12 ' HZ3' ' B' ' 127' ' ' LYS . 19.1 mt -94.54 131.37 40.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.526 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . 0.474 HG22 ' SG ' ' A' ' 31' ' ' CYS . 1.5 mt -124.88 142.75 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.528 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -164.85 148.39 8.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.736 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 61.58 20.17 11.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.022 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 75.48 27.62 63.11 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -146.62 148.89 32.55 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.837 0.351 . . . . 0.0 110.629 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -82.74 131.3 35.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.314 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 16.8 mt -79.23 136.89 37.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.38 . . . . 0.0 110.801 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -82.05 162.84 22.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.56 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.39 -41.9 15.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -83.2 41.14 2.88 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -139.67 179.98 6.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.765 0.317 . . . . 0.0 110.382 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . 0.426 ' OG1' ' OD1' ' B' ' 158' ' ' ASP . 67.5 p -119.97 168.42 11.17 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.722 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.05 -40.15 94.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.707 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . 0.506 ' C ' ' H ' ' B' ' 159' ' ' TYR . 5.7 t -58.38 -42.1 86.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.784 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . 0.426 ' OD1' ' OG1' ' B' ' 155' ' ' THR . 0.9 OUTLIER -54.85 -5.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.752 -179.738 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . 0.506 ' H ' ' C ' ' B' ' 157' ' ' SER . 69.6 m-85 -125.24 20.42 8.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.576 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 46.56 31.44 1.35 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.734 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 90.8 mt -79.81 102.09 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.426 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -79.32 -157.38 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.767 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -85.5 156.62 20.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.788 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 56.77 33.76 23.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.707 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 60.7 m -84.2 135.52 34.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.584 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 4.4 m -89.43 105.07 17.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.521 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.1 mt -92.34 129.37 38.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.712 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 168' ' ' HIS . . . . . 0.612 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.2 OUTLIER -85.69 101.8 13.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.269 179.754 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 62.8 tp -81.93 141.77 33.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.654 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.3 t -144.27 158.59 15.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.384 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.611 HD12 ' N ' ' B' ' 171' ' ' LEU . 7.4 mp -100.1 105.89 17.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.454 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . 0.671 ' NH1' HH21 ' A' ' 24' ' ' ARG . 14.8 ttt85 -53.39 120.71 6.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.644 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 173' ' ' LEU . . . . . 0.469 HD13 ' CG ' ' A' ' 43' ' ' PHE . 28.3 mt -99.31 101.07 12.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.478 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 72.1 mmt-85 51.05 -165.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.513 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 161.97 48.87 0.02 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.655 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 201' ' ' MET . . . . . . . . . . . . . 1.6 ptt? . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -94.13 126.97 39.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.545 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 19.4 pt -116.23 149.85 18.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.647 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -98.64 140.66 32.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.687 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 87.8 t -129.22 109.27 18.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.41 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -94.7 133.13 38.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.651 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 63.5 p -87.47 -154.62 0.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.314 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 208' ' ' LEU . . . . . 0.919 ' H ' HD22 ' C' ' 208' ' ' LEU . 0.5 OUTLIER -84.96 -37.01 20.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.432 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 5.2 p -78.73 -4.66 50.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.534 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 93.85 21.92 27.12 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -81.22 111.77 17.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 110.492 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 19.8 m -90.09 141.99 28.15 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.722 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 2.8 mt -136.76 126.8 39.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.531 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 29.1 m -92.31 111.16 22.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.187 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 20.7 mt -115.61 132.79 56.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.963 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -80.4 123.22 27.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.155 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 217' ' ' VAL . . . . . . . . . . . . . 12.2 m -147.05 169.14 4.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.944 0.402 . . . . 0.0 110.901 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 218' ' ' GLU . . . . . 0.622 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 18.3 mp0 -124.7 149.4 62.19 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.08 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.39 -24.81 4.34 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.475 2.117 . . . . 0.0 112.374 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.6 p -92.45 10.46 29.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.062 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 221' ' ' ASP . . . . . 0.622 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 39.3 m-20 -82.59 135.96 34.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.348 . . . . 0.0 110.299 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 10.8 p -83.63 136.3 34.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 27.2 mm -45.16 -45.36 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.277 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -55.71 -36.24 66.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.152 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 225' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -65.3 -40.18 93.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.98 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 12.0 t -63.87 -54.44 31.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.003 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -48.18 -41.04 25.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.204 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -61.39 -46.0 92.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.29 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -56.16 -40.7 74.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.295 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 4.9 mt -64.27 -48.34 85.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.211 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -53.31 -28.61 29.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.247 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -78.51 -30.28 47.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.614 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -81.18 -66.71 0.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.59 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -80.66 -108.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.624 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -173.92 14.99 0.04 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 236' ' ' ILE . . . . . . . . . . . . . 45.4 mt -85.49 115.27 60.75 Favored Pre-proline 0 C--N 1.33 -0.282 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -62.79 149.69 90.54 Favored 'Trans proline' 0 C--N 1.314 -1.258 0 C-N-CA 121.57 1.514 . . . . 0.0 111.595 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 238' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.6 Cg_endo -48.29 -59.71 1.14 Allowed 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 122.362 2.041 . . . . 0.0 111.907 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -44.45 -21.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.61 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 240' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' C' ' 238' ' ' PRO . 77.0 mt-30 -109.08 38.03 2.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.627 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 241' ' ' GLN . . . . . 0.559 ' O ' ' NE ' ' C' ' 272' ' ' ARG . 69.7 mt-30 -134.65 159.43 41.26 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.489 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 242' ' ' ARG . . . . . 0.456 ' NH2' ' OD1' ' D' ' 328' ' ' ASN . 25.1 ttm180 -170.31 110.3 0.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.279 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 18.5 mt -89.21 131.54 35.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.184 0.516 . . . . 0.0 110.939 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 244' ' ' ILE . . . . . 0.511 HG22 ' SG ' ' D' ' 331' ' ' CYS . 2.0 mt -129.64 122.85 56.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.068 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 245' ' ' PHE . . . . . 0.531 ' CE2' ' OD2' ' A' ' 25' ' ' ASP . 26.7 t80 -107.23 82.55 1.69 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.998 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 51.33 80.17 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 247' ' ' GLY . . . . . 0.675 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 60.39 43.28 98.85 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -151.0 94.56 2.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.758 0.313 . . . . 0.0 110.7 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -74.59 119.04 18.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.112 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 10.8 mt -82.39 135.44 35.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.864 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -80.53 161.6 24.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.534 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.67 -20.22 40.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.001 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -105.59 39.78 2.73 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -139.49 175.42 9.58 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 255' ' ' THR . . . . . 0.419 ' OG1' ' OD1' ' C' ' 258' ' ' ASP . 24.5 p -114.49 165.32 12.87 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.886 0.374 . . . . 0.0 110.659 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.42 -48.46 81.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.697 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 257' ' ' SER . . . . . 0.495 ' C ' ' H ' ' C' ' 259' ' ' TYR . 11.5 p -53.19 -38.62 62.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.841 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 258' ' ' ASP . . . . . 0.419 ' OD1' ' OG1' ' C' ' 255' ' ' THR . 10.4 m-20 -54.81 -5.09 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.851 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 259' ' ' TYR . . . . . 0.495 ' H ' ' C ' ' C' ' 257' ' ' SER . 75.0 m-85 -129.45 22.58 5.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.611 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 48.9 29.04 2.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.796 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 92.1 mt -80.02 98.92 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.451 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -81.05 -157.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.732 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.16 161.22 22.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.728 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 55.54 33.93 22.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.691 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 39.7 m -87.84 131.23 34.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.58 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 24.1 m -90.74 117.72 29.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.583 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 10.7 mt -111.99 153.26 27.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.431 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 268' ' ' HIS . . . . . 0.419 ' NE2' HD11 ' D' ' 333' ' ' ILE . 59.3 m80 -109.59 120.3 42.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.844 0.354 . . . . 0.0 110.251 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 269' ' ' LEU . . . . . 0.674 HD23 ' N ' ' C' ' 270' ' ' VAL . 6.0 tt -93.0 123.39 36.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 -179.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 270' ' ' VAL . . . . . 0.674 ' N ' HD23 ' C' ' 269' ' ' LEU . 1.6 t -127.02 136.16 61.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.209 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 271' ' ' LEU . . . . . 0.696 ' N ' HD12 ' C' ' 271' ' ' LEU . 7.4 mp -78.35 134.01 37.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.769 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 272' ' ' ARG . . . . . 0.559 ' NE ' ' O ' ' C' ' 241' ' ' GLN . 13.6 mtt180 -73.16 140.17 46.85 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.307 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 273' ' ' LEU . . . . . 0.411 HD13 ' CD1' ' D' ' 343' ' ' PHE . 19.3 mt -116.06 60.59 0.72 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.531 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 23.3 ptt85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.593 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.75 0.309 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 314' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' D' ' 314' ' ' ASP . 31.6 p30 -79.92 92.88 5.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.542 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 17.4 mt -98.14 39.36 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.513 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 7.2 t -80.91 6.29 13.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.668 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -147.45 72.33 1.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.657 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 11.1 m95 -132.14 165.74 23.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.395 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -109.31 158.22 18.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.43 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -56.37 -52.58 64.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.522 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -61.1 -44.73 96.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -53.46 -51.59 62.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.656 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 323' ' ' LEU . . . . . 0.501 HD21 ' CD ' ' D' ' 342' ' ' GLU . 12.9 mt -60.0 -57.62 12.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.468 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 324' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -53.5 -53.02 57.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.642 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 325' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' D' ' 329' ' ' THR . 17.8 m-20 -56.31 -49.45 74.26 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.573 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 326' ' ' THR . . . . . 0.53 ' O ' ' N ' ' D' ' 330' ' ' SER . 64.1 m -50.94 -45.19 60.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.61 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 327' ' ' ILE . . . . . 0.43 HG23 HD22 ' D' ' 336' ' ' LEU . 95.1 mt -68.31 -33.99 63.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.61 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 328' ' ' ASN . . . . . 0.456 ' OD1' ' NH2' ' C' ' 242' ' ' ARG . 12.2 m-80 -92.91 1.45 57.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.915 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.509 ' N ' ' O ' ' D' ' 325' ' ' ASP . 73.6 p -129.81 -10.59 4.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.869 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 330' ' ' SER . . . . . 0.53 ' N ' ' O ' ' D' ' 326' ' ' THR . 3.0 t -118.7 170.04 9.31 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.967 0.413 . . . . 0.0 110.97 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 331' ' ' CYS . . . . . 0.675 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 38.4 t -139.88 24.41 2.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.406 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -87.23 97.36 10.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.344 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . 0.419 HD11 ' NE2' ' C' ' 268' ' ' HIS . 1.6 mt -38.71 -45.94 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.894 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -54.68 -58.84 5.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.425 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 335' ' ' LEU . . . . . 0.492 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 10.7 mt -56.43 -39.92 73.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.14 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 336' ' ' LEU . . . . . 0.43 HD22 HG23 ' D' ' 327' ' ' ILE . 96.8 mt -59.92 -42.62 94.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.472 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -68.99 -49.21 59.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.359 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.95 99.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.445 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 339' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 81.6 m -60.33 -53.7 54.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.089 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 12.3 mtp85 -55.12 -42.03 72.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.194 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -56.4 -56.9 15.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.832 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 342' ' ' GLU . . . . . 0.501 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.5 pt-20 -68.28 -38.52 81.79 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.678 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 343' ' ' PHE . . . . . 0.411 ' CD1' HD13 ' C' ' 273' ' ' LEU . 12.5 t80 -58.24 -33.21 69.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.542 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -85.99 -52.55 5.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.249 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -48.24 -34.0 9.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.155 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 70.8 mtt-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.616 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.801 0.334 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.417 ' O ' ' OD2' ' A' ' 14' ' ' ASP . 4.4 p-10 -83.63 92.78 7.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.53 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.408 HD13 ' OE1' ' A' ' 42' ' ' GLU . 12.1 mt -98.28 45.11 1.02 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.497 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 82.7 p -84.47 16.02 3.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.722 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.2 pttm -169.55 84.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.935 0.398 . . . . 0.0 110.654 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -134.8 170.78 15.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.264 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -115.87 163.95 15.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.644 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -64.24 -49.72 70.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.483 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.66 -36.68 81.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.609 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -64.99 -56.64 11.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.503 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.425 HD21 ' CD ' ' A' ' 42' ' ' GLU . 15.2 mt -55.87 -56.76 16.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.459 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.509 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 5.2 tpt180 -52.95 -40.71 63.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.44 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 29' ' ' THR . 14.3 m-20 -64.89 -48.37 74.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.389 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 30' ' ' SER . 7.8 m -54.08 -43.78 70.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.639 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.695 HD11 ' SG ' ' A' ' 39' ' ' CYS . 96.7 mt -76.05 -27.07 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.73 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.753 HD21 HH22 ' B' ' 142' ' ' ARG . 0.9 OUTLIER -90.66 -5.23 56.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.091 -179.624 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 25' ' ' ASP . 75.2 p -129.66 -43.77 1.24 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.04 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.5 OUTLIER -78.69 149.21 32.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.957 0.408 . . . . 0.0 111.093 -179.483 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.542 ' SG ' ' CG ' ' B' ' 168' ' ' HIS . 21.5 t -122.72 30.32 6.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.255 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' ILE . 16.5 m-20 -93.47 93.52 8.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.445 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.68 ' HA ' HD12 ' A' ' 36' ' ' LEU . 2.2 mt -38.46 -41.04 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.953 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -57.48 -59.0 5.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.374 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.9 mt -58.43 -38.52 77.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.146 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.68 HD12 ' HA ' ' A' ' 33' ' ' ILE . 65.6 mt -58.91 -43.98 91.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.104 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.17 -48.65 77.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.189 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.416 ' O ' ' HG2' ' A' ' 41' ' ' GLU . . . -65.75 -41.2 92.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.251 179.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.695 ' SG ' HD11 ' A' ' 27' ' ' ILE . 46.5 t -64.02 -45.11 90.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.057 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.8 mtp85 -64.77 -42.72 94.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.244 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 42' ' ' GLU . 2.2 pt-20 -62.97 -45.1 94.04 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.918 -178.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 41' ' ' GLU . 2.8 pt-20 -67.63 -36.3 80.52 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.085 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -60.99 -44.99 96.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.285 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -66.38 -51.54 56.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.269 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -46.91 -55.4 8.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.243 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 mtp85 -46.12 -41.36 12.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.503 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.96 -36.14 69.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.459 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -71.8 -73.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.544 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.402 ' H ' HG22 ' A' ' 49' ' ' VAL . 18.8 m -96.09 176.43 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.511 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -85.32 32.16 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.568 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.529 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.517 ' N ' ' O ' ' B' ' 117' ' ' VAL . 27.7 ttp . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -68.97 130.42 42.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.553 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 5.0 pt -131.55 142.97 41.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.557 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -93.01 127.72 38.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.576 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 82.2 t -114.22 106.96 21.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.363 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -79.49 120.79 24.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.387 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . 0.45 ' HB ' HD22 ' B' ' 108' ' ' LEU . 69.1 p -88.32 -162.33 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.606 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 1.074 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.0 OUTLIER -77.68 -59.48 2.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.178 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 50.8 p -57.7 -2.99 0.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.56 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' B' ' 108' ' ' LEU . . . 91.73 7.47 64.66 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -70.48 115.21 9.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 0.0 110.456 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.9 m -92.12 110.6 21.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.615 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.418 HG21 HD13 ' B' ' 113' ' ' ILE . 6.7 mt -96.83 148.74 5.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.635 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 17.4 m -107.59 98.31 7.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.471 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.594 HD22 ' N ' ' B' ' 115' ' ' LEU . 3.7 mm? -92.77 129.82 38.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.854 0.359 . . . . 0.0 110.777 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -90.21 116.72 28.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.893 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' B' ' 101' ' ' MET . 12.6 m -146.81 -161.68 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.053 0.454 . . . . 0.0 111.113 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.529 ' N ' ' OD2' ' B' ' 121' ' ' ASP . 44.5 mt-10 -150.13 152.42 33.68 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.718 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.22 -43.51 20.98 Favored 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.721 2.281 . . . . 0.0 112.853 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.49 17.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.53 -179.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' B' ' 118' ' ' GLU . 5.1 m-20 -92.43 138.3 31.63 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.349 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 6.5 p -81.97 138.51 34.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.965 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 22.0 mm -47.86 -52.47 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.198 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -46.68 -42.9 17.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.263 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.49 ' OD1' ' NZ ' ' B' ' 129' ' ' LYS . 37.1 t-20 -61.13 -39.84 91.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.06 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 21.7 t -62.6 -48.46 88.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.152 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . 0.457 ' HA ' HE22 ' B' ' 141' ' ' GLN . 86.8 mttt -53.67 -38.24 63.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.287 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.96 -40.15 94.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.37 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.49 ' NZ ' ' OD1' ' B' ' 125' ' ' ASN . 60.7 mttp -61.39 -44.19 97.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.303 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 9.2 mt -62.54 -51.82 67.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.297 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . 0.436 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.7 OUTLIER -51.19 -32.67 24.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.43 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -74.35 -26.51 60.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.424 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt -81.08 -63.95 1.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.415 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -85.57 -109.23 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.634 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -169.41 16.93 0.06 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 68.1 mt -83.86 114.72 55.83 Favored Pre-proline 0 CA--C 1.532 0.279 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -64.35 147.77 90.84 Favored 'Trans proline' 0 C--N 1.315 -1.193 0 C-N-CA 121.512 1.474 . . . . 0.0 111.525 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.488 ' O ' ' N ' ' B' ' 140' ' ' GLN . 2.6 Cg_endo -48.1 -62.59 0.41 Allowed 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 122.344 2.029 . . . . 0.0 111.85 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -39.98 -24.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.811 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' B' ' 138' ' ' PRO . 12.2 mm100 -105.83 43.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.551 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . 0.457 HE22 ' HA ' ' B' ' 127' ' ' LYS . 9.0 mt-30 -134.34 155.14 50.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.618 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . 0.753 HH22 HD21 ' A' ' 28' ' ' ASN . 11.4 ttm180 -170.39 102.06 0.27 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.058 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.3 mt -84.16 133.36 34.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.006 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . 0.506 HG22 ' SG ' ' A' ' 31' ' ' CYS . 1.7 mt -127.52 142.17 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.069 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . 0.431 ' O ' ' HB3' ' B' ' 146' ' ' ALA . 68.1 t80 -146.72 104.24 3.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.762 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' B' ' 145' ' ' PHE . . . 65.74 69.88 0.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.842 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 41.31 46.78 4.43 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -150.8 120.73 7.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.34 . . . . 0.0 110.568 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -83.33 126.45 32.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.327 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 12.9 mt -81.04 126.59 31.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.727 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -68.95 161.97 27.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.544 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.33 -33.3 23.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.971 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -89.98 41.87 2.97 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -139.64 176.35 8.8 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 43.8 p -116.72 163.66 15.8 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.723 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . 0.446 ' CD1' HG21 ' B' ' 117' ' ' VAL . 64.5 mt -60.6 -37.5 81.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.533 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . 0.482 ' C ' ' H ' ' B' ' 159' ' ' TYR . 10.4 t -61.51 -32.4 72.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.736 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -71.71 14.95 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.715 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . 0.482 ' H ' ' C ' ' B' ' 157' ' ' SER . 55.5 m-85 -140.64 6.62 2.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.53 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 59.75 28.73 18.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.631 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 97.0 mt -80.95 98.95 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.473 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -79.77 -157.56 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.618 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 31.9 ptt-85 -83.87 158.29 21.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.704 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 56.65 31.92 20.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.767 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 46.9 m -84.91 136.49 33.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.66 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 10.6 m -90.93 103.41 16.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.498 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 10.2 mt -95.92 121.2 37.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.639 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 168' ' ' HIS . . . . . 0.619 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.2 OUTLIER -77.81 97.01 5.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.27 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 43.6 tp -81.35 132.66 35.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.734 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 170' ' ' VAL . . . . . 0.408 ' CG2' HD13 ' A' ' 36' ' ' LEU . 3.0 t -130.51 161.59 40.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.24 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.691 HD12 ' N ' ' B' ' 171' ' ' LEU . 6.9 mp -97.85 110.17 22.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.498 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -65.68 103.19 0.83 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.497 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 13.9 mt -77.66 167.78 21.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.622 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -80.31 162.73 24.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.473 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . -170.92 -163.17 24.51 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.985 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 201' ' ' MET . . . . . 0.525 ' N ' ' O ' ' C' ' 217' ' ' VAL . 31.4 ttp . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -89.01 110.72 21.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.779 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 18.7 pt -107.95 147.09 13.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.339 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -98.44 135.49 39.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.798 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 59.0 t -124.0 110.52 25.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.057 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 206' ' ' LYS . . . . . 0.511 ' NZ ' ' OG1' ' C' ' 212' ' ' THR . 39.3 mttm -95.55 137.2 34.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.971 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 69.6 p -89.71 -160.7 0.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.146 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 208' ' ' LEU . . . . . 0.884 HD12 ' N ' ' C' ' 208' ' ' LEU . 1.6 mp -100.98 23.2 11.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 110.571 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 2.2 p -136.57 0.22 2.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.41 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 92.51 29.57 10.85 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -103.2 110.77 22.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.807 0.337 . . . . 0.0 110.567 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 212' ' ' THR . . . . . 0.511 ' OG1' ' NZ ' ' C' ' 206' ' ' LYS . 10.2 m -93.79 146.98 23.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.627 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 2.6 mt -138.16 127.25 32.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.906 0.384 . . . . 0.0 110.663 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 8.6 m -92.35 115.7 28.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.309 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 17.3 mt -117.16 123.28 46.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.89 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -81.5 121.43 26.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.078 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 217' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' C' ' 201' ' ' MET . 29.2 m -149.0 -165.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.99 0.424 . . . . 0.0 111.008 -179.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 218' ' ' GLU . . . . . 0.549 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 2.8 mt-10 -142.39 148.52 47.75 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.751 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.92 -25.24 2.6 Favored 'Trans proline' 0 C--N 1.31 -1.499 0 C-N-CA 122.412 2.074 . . . . 0.0 112.364 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.9 p -80.49 -28.97 37.39 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.954 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 221' ' ' ASP . . . . . 0.549 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 0.9 OUTLIER -44.85 137.77 3.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.39 . . . . 0.0 110.664 -179.714 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 222' ' ' THR . . . . . 0.403 ' O ' ' N ' ' C' ' 225' ' ' ASN . 19.9 p -87.9 138.14 31.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.509 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 18.6 mm -42.15 -52.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.59 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -51.42 -36.25 42.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.568 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 225' ' ' ASN . . . . . 0.545 HD22 ' C ' ' C' ' 225' ' ' ASN . 0.1 OUTLIER -65.3 -41.22 94.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.863 0.363 . . . . 0.0 110.067 179.572 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 41.3 t -62.87 -45.15 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.979 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -55.62 -41.99 74.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.016 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.93 91.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.236 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 229' ' ' LYS . . . . . 0.534 ' HZ3' ' ND2' ' C' ' 225' ' ' ASN . 44.6 mttp -55.95 -46.59 78.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.247 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 41.9 mt -59.59 -40.02 80.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.293 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -59.06 -35.1 72.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.157 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.55 -24.96 61.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.481 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 19.7 mmtm -82.09 -62.26 1.68 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.593 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -88.31 -106.3 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.565 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -173.03 11.78 0.04 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.831 -0.907 . . . . 0.0 110.831 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 236' ' ' ILE . . . . . 0.486 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 17.6 mt -84.39 115.63 61.3 Favored Pre-proline 0 C--N 1.329 -0.295 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.01 151.2 79.97 Favored 'Trans proline' 0 C--N 1.314 -1.243 0 C-N-CA 121.504 1.469 . . . . 0.0 111.679 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 238' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.8 Cg_endo -48.49 -62.33 0.45 Allowed 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.404 2.069 . . . . 0.0 111.919 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -43.51 -20.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.633 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 240' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' C' ' 238' ' ' PRO . 81.6 mt-30 -106.54 33.14 4.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.522 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 241' ' ' GLN . . . . . 0.508 ' N ' ' O ' ' C' ' 238' ' ' PRO . 70.6 mt-30 -134.36 145.29 48.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.675 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 242' ' ' ARG . . . . . 0.765 HH21 ' HE ' ' C' ' 272' ' ' ARG . 40.2 ttm-85 -155.81 117.63 4.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.131 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 12.5 mt -96.54 136.33 37.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.153 0.502 . . . . 0.0 111.275 -179.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 2.1 mt -129.84 120.86 50.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.898 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 245' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -106.85 75.25 1.04 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.886 0.374 . . . . 0.0 111.055 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 54.05 88.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 247' ' ' GLY . . . . . 0.702 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 56.33 40.97 86.65 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -150.32 91.8 1.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.773 0.32 . . . . 0.0 110.544 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 249' ' ' GLN . . . . . 0.471 ' CD ' ' NH1' ' C' ' 242' ' ' ARG . 8.2 tt0 -75.01 112.24 11.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.98 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 9.7 mt -73.32 130.36 40.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.93 0.395 . . . . 0.0 110.834 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -80.44 158.75 25.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.421 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.44 -0.96 43.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.872 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -123.04 36.71 3.0 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.61 -177.82 4.79 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 255' ' ' THR . . . . . 0.462 ' C ' ' H ' ' C' ' 257' ' ' SER . 33.4 p -122.06 158.83 28.36 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.886 0.374 . . . . 0.0 110.601 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 256' ' ' LEU . . . . . 0.412 ' CD1' HG21 ' C' ' 217' ' ' VAL . 95.1 mt -60.67 -1.09 0.34 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.644 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 257' ' ' SER . . . . . 0.482 ' C ' ' H ' ' C' ' 259' ' ' TYR . 93.8 p -96.47 -30.3 13.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.686 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.81 12.97 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.647 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 259' ' ' TYR . . . . . 0.482 ' H ' ' C ' ' C' ' 257' ' ' SER . 74.7 m-85 -140.82 -0.61 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.552 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 260' ' ' ASN . . . . . 0.432 ' O ' ' OE1' ' C' ' 262' ' ' GLN . 9.0 t-20 60.82 54.18 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.633 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 96.7 mt -98.22 105.34 17.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.417 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 262' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' C' ' 260' ' ' ASN . 2.4 mp0 -84.09 -168.04 1.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.818 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -73.29 160.28 32.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.794 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 51.7 31.7 8.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.76 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 38.2 m -86.0 131.75 34.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.583 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 12.2 m -85.33 129.36 34.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.55 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 10.4 mt -123.84 132.56 53.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.582 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 268' ' ' HIS . . . . . 0.666 ' ND1' ' N ' ' C' ' 268' ' ' HIS . 0.1 OUTLIER -85.17 111.7 20.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.097 179.831 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 269' ' ' LEU . . . . . 0.595 ' O ' HD11 ' C' ' 208' ' ' LEU . 45.5 tp -88.33 133.64 34.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.63 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 270' ' ' VAL . . . . . 0.408 HG11 HG23 ' D' ' 327' ' ' ILE . 2.0 t -133.26 140.33 47.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.376 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 271' ' ' LEU . . . . . 0.741 ' N ' HD12 ' C' ' 271' ' ' LEU . 6.7 mp -82.64 100.57 10.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.522 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 272' ' ' ARG . . . . . 0.765 ' HE ' HH21 ' C' ' 242' ' ' ARG . 17.2 ttt-85 -55.56 110.16 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.6 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 273' ' ' LEU . . . . . . . . . . . . . 43.3 mt -74.06 94.08 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.576 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 274' ' ' ARG . . . . . 0.491 HH11 ' NH1' ' C' ' 272' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.383 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.753 0.311 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.92 92.95 5.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.493 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 315' ' ' LEU . . . . . 0.426 HD13 ' OE1' ' D' ' 342' ' ' GLU . 10.6 mt -91.45 43.29 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.492 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 72.3 m -83.61 18.45 1.9 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.769 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -172.68 83.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 110.69 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -132.82 170.98 14.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.309 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -119.64 166.19 13.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.724 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 320' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' D' ' 320' ' ' TYR . 10.5 t80 -60.5 -48.82 80.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.558 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -59.66 -48.7 80.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.798 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -55.19 -57.56 11.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 323' ' ' LEU . . . . . 0.543 HD21 ' CD ' ' D' ' 342' ' ' GLU . 15.4 mt -56.81 -55.67 31.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.743 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 324' ' ' ARG . . . . . 0.682 ' NH1' HD21 ' D' ' 328' ' ' ASN . 7.4 tpt85 -52.99 -47.76 67.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.552 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 325' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' D' ' 329' ' ' THR . 1.0 OUTLIER -63.36 -47.42 82.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.327 179.902 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 326' ' ' THR . . . . . 0.507 ' O ' ' N ' ' D' ' 330' ' ' SER . 21.7 m -53.49 -45.3 69.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.596 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 327' ' ' ILE . . . . . 0.408 HG23 HG11 ' C' ' 270' ' ' VAL . 95.8 mt -75.65 -25.43 17.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.733 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 328' ' ' ASN . . . . . 0.682 HD21 ' NH1' ' D' ' 324' ' ' ARG . 0.9 OUTLIER -95.16 -1.5 51.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.064 -179.648 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.464 ' N ' ' O ' ' D' ' 325' ' ' ASP . 62.6 p -135.15 -43.05 0.72 Allowed 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 121.002 -0.279 . . . . 0.0 111.245 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 330' ' ' SER . . . . . 0.507 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.4 OUTLIER -75.4 163.44 27.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.017 0.437 . . . . 0.0 111.218 -179.289 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 331' ' ' CYS . . . . . 0.702 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 27.6 p -140.86 88.49 2.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.468 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -160.14 98.88 1.33 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.342 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . 0.412 HG21 HD13 ' D' ' 333' ' ' ILE . 2.1 mt -38.82 -43.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.884 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -54.79 -58.93 5.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.346 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 335' ' ' LEU . . . . . 0.492 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 7.3 mt -60.43 -51.09 70.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.115 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 45.1 mt -50.42 -45.79 55.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.52 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.37 -48.72 80.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.303 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 338' ' ' ALA . . . . . 0.419 ' O ' ' HG2' ' D' ' 341' ' ' GLU . . . -68.03 -32.36 72.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.475 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 339' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 76.7 m -65.31 -45.97 82.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.115 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 340' ' ' ARG . . . . . 0.426 ' HE ' ' HB2' ' C' ' 271' ' ' LEU . 14.3 mtp-105 -67.81 -43.03 80.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.222 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 341' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' D' ' 342' ' ' GLU . 4.8 pt-20 -60.68 -45.85 92.61 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.798 -179.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 342' ' ' GLU . . . . . 0.543 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.1 pt-20 -68.39 -39.05 81.84 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.232 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.82 -53.04 62.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.014 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -59.66 -52.34 65.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.343 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.67 -40.77 20.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.164 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.517 179.888 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 N--CA 1.461 0.081 0 CA-C-O 120.768 0.318 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -81.05 92.97 6.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.599 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.1 mt -89.24 42.58 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.459 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.8 p -79.74 17.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -171.82 82.31 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.908 0.385 . . . . 0.0 110.707 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -131.81 167.15 20.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.295 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.53 166.91 12.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.684 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.507 ' OH ' ' N ' ' B' ' 176' ' ' GLY . 8.9 t80 -62.31 -48.06 81.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.561 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.74 -36.84 79.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.728 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -68.23 -54.54 16.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.802 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.573 HD21 ' CD ' ' A' ' 42' ' ' GLU . 15.5 mt -57.96 -57.61 12.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.606 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.7 ' NH1' HD21 ' A' ' 28' ' ' ASN . 14.7 tpt85 -53.15 -53.52 49.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.371 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' A' ' 29' ' ' THR . 6.1 t70 -53.16 -51.25 62.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.299 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.571 ' O ' ' N ' ' A' ' 30' ' ' SER . 24.3 m -51.27 -53.18 38.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.612 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.423 ' C ' HD22 ' A' ' 28' ' ' ASN . 88.3 mt -66.19 -20.01 26.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.64 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.7 HD21 ' NH1' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -103.59 -1.68 27.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.414 -179.488 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.537 ' N ' ' O ' ' A' ' 25' ' ' ASP . 41.7 p -139.82 -1.16 1.64 Allowed 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.861 -0.335 . . . . 0.0 111.133 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 26' ' ' THR . 3.1 t -115.93 168.94 9.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.009 0.433 . . . . 0.0 110.901 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.7 p -147.68 85.81 1.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.44 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -160.34 104.71 1.46 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.69 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.723 ' H ' HD12 ' A' ' 33' ' ' ILE . 1.1 mp -41.22 -42.56 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.56 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -56.45 -56.68 18.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.297 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.491 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 11.5 mt -63.25 -50.15 71.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.173 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.8 mt -52.05 -45.46 64.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.447 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.24 -49.31 70.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.815 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.7 -44.04 97.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.614 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 80.4 m -58.18 -53.55 57.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.468 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.6 mtp-105 -57.07 -41.37 78.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.417 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -55.91 -59.68 4.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.573 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.8 pt-20 -63.08 -36.08 82.41 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.806 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.435 ' CD1' HD13 ' B' ' 173' ' ' LEU . 4.5 t80 -58.3 -41.18 83.88 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.38 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -72.44 -51.59 19.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.385 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -45.9 -48.83 16.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.335 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.419 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 72.3 mtt-85 -52.73 -33.73 49.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.406 179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.5 mt -81.45 -50.23 9.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.509 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 49' ' ' VAL . 69.8 tttt -53.7 -67.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.573 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.425 ' O ' ' O ' ' A' ' 48' ' ' LYS . 5.0 t 53.77 106.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.512 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.502 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 11.6 p90 -78.43 90.5 4.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.516 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 16.3 p80 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.512 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.564 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . 0.423 ' CD ' ' CG2' ' B' ' 114' ' ' THR . 18.5 tt0 -95.93 140.67 30.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.121 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 3.8 pt -135.01 156.4 39.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.904 0.383 . . . . 0.0 110.812 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -111.11 127.32 55.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.395 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 86.9 t -113.59 110.44 32.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.397 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -95.56 133.74 39.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.768 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 21.7 p -92.59 -163.49 1.05 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.307 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.935 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.5 OUTLIER -84.25 -23.43 30.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.343 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 5.6 p -83.93 2.35 39.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.468 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.27 12.56 80.49 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -82.15 122.86 28.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.751 0.31 . . . . 0.0 110.543 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.5 m -99.75 134.48 42.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.626 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 4.2 mt -122.97 129.58 75.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . 0.423 ' CG2' ' CD ' ' B' ' 102' ' ' GLN . 8.4 m -88.52 101.44 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.348 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.473 HD22 ' N ' ' B' ' 115' ' ' LEU . 4.2 mm? -98.97 125.41 44.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.987 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -87.91 117.89 27.07 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . 0.564 ' O ' ' N ' ' B' ' 101' ' ' MET . 6.0 m -141.96 -158.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.334 0.588 . . . . 0.0 111.563 -178.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.524 ' N ' ' OD2' ' B' ' 121' ' ' ASP . 5.6 mt-10 -146.99 170.43 7.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.394 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -75.24 -16.58 19.61 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 122.385 2.057 . . . . 0.0 112.354 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.2 p -100.86 6.89 43.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.748 0.309 . . . . 0.0 110.739 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . 0.524 ' OD2' ' N ' ' B' ' 118' ' ' GLU . 45.1 m-20 -78.53 141.78 37.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.427 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 82.3 p -85.66 143.36 28.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 25.2 mm -51.74 -46.38 38.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.204 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' B' ' 125' ' ' ASN . 11.0 pt-20 -53.68 -40.32 65.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.294 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.499 ' OD1' ' NZ ' ' B' ' 129' ' ' LYS . 41.8 t-20 -63.17 -37.99 89.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.175 179.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 46.0 t -64.28 -49.91 78.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.158 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -53.04 -38.34 62.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.161 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.55 -41.32 96.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.371 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.499 ' NZ ' ' OD1' ' B' ' 125' ' ' ASN . 36.3 mttp -60.37 -43.35 96.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.346 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 9.6 mt -63.67 -42.87 97.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.285 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . 0.432 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.5 OUTLIER -60.64 -24.91 65.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.425 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -84.95 -19.74 31.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.689 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -89.83 -56.75 3.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.826 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -90.48 -106.21 0.09 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.757 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -172.97 22.67 0.07 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.526 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 15.8 mt -95.53 111.14 54.43 Favored Pre-proline 0 C--N 1.329 -0.292 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -63.2 153.35 74.67 Favored 'Trans proline' 0 C--N 1.314 -1.239 0 C-N-CA 121.518 1.479 . . . . 0.0 111.651 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -46.9 -65.0 0.2 Allowed 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.502 2.134 . . . . 0.0 111.859 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.33 -19.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.666 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' B' ' 138' ' ' PRO . 32.0 mm-40 -112.22 36.15 3.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.523 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 51.9 mt-30 -134.43 160.55 37.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.551 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . 0.413 ' O ' HD12 ' B' ' 169' ' ' LEU . 23.4 ttm180 -170.21 139.72 1.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.042 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 31.3 mt -120.29 137.85 54.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.989 0.423 . . . . 0.0 110.998 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . 0.413 ' O ' ' CG ' ' B' ' 168' ' ' HIS . 1.7 mt -129.34 123.29 57.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.055 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -141.57 146.47 36.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.428 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 62.21 21.53 12.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.618 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 73.72 30.01 62.47 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 65.5 mttt -146.44 143.47 29.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.796 0.331 . . . . 0.0 110.636 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -78.05 134.23 37.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.382 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 12.8 mt -85.33 136.68 33.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.751 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -80.53 160.31 25.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.469 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.75 -29.1 36.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.839 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -92.86 40.26 2.86 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 33.2 mmt-85 -139.64 178.72 7.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.751 0.31 . . . . 0.0 110.44 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 76.5 p -119.73 179.03 4.36 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.583 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 92.0 mt -80.46 -13.22 59.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.773 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 4.2 p -87.89 -14.38 39.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.586 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.33 -9.64 58.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.663 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -118.84 16.0 13.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.598 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 54.92 18.11 2.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.973 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 78.1 mt -65.76 91.38 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.287 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -74.38 -157.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.595 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . 0.401 ' HG2' ' H ' ' B' ' 163' ' ' ARG . 11.0 ptp180 -84.37 156.67 21.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.726 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 59.89 32.83 21.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.679 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 38.2 m -85.12 131.88 34.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.585 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 9.0 m -93.36 97.0 10.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.6 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . 0.428 ' H ' HD12 ' B' ' 167' ' ' LEU . 3.4 mp -88.6 154.75 20.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.621 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 168' ' ' HIS . . . . . 0.655 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -104.31 113.96 27.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.075 179.522 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . 0.413 HD12 ' O ' ' B' ' 142' ' ' ARG . 28.9 tp -90.85 124.2 34.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.565 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.0 t -127.24 138.4 54.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.165 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.624 HD12 ' N ' ' B' ' 171' ' ' LEU . 8.4 mp -77.9 103.04 7.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.702 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . 0.425 ' O ' ' OE1' ' B' ' 140' ' ' GLN . 57.7 ttt180 -60.65 94.44 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.528 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 173' ' ' LEU . . . . . 0.435 HD13 ' CD1' ' A' ' 43' ' ' PHE . 28.7 mt -61.91 130.38 45.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.649 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 71.2 mtt-85 -78.56 148.14 33.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.571 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 153.48 -151.95 23.64 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 176' ' ' GLY . . . . . 0.507 ' N ' ' OH ' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.525 0.696 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 201' ' ' MET . . . . . 0.531 ' N ' ' O ' ' C' ' 217' ' ' VAL . 32.2 ttp . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 202' ' ' GLN . . . . . 0.522 ' OE1' ' N ' ' C' ' 202' ' ' GLN . 4.4 mp0 -76.08 144.7 40.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.435 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 14.9 pt -147.68 141.68 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.344 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -93.56 140.31 29.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.839 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 19.6 t -128.73 110.69 21.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.084 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 206' ' ' LYS . . . . . 0.486 ' NZ ' ' CB ' ' C' ' 206' ' ' LYS . 8.0 mtmp? -92.94 130.73 38.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.657 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 58.0 p -89.29 -158.46 0.51 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.435 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 208' ' ' LEU . . . . . 0.922 ' H ' HD22 ' C' ' 208' ' ' LEU . 0.6 OUTLIER -82.28 -33.63 29.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.3 179.882 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 9.4 p -82.3 -2.85 54.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.589 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 91.02 19.84 41.45 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -79.89 116.81 20.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.329 . . . . 0.0 110.553 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 6.4 m -94.43 137.69 33.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.601 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -130.03 128.48 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.54 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 55.0 m -94.18 98.45 10.96 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.343 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 215' ' ' LEU . . . . . 0.465 ' N ' HD12 ' C' ' 215' ' ' LEU . 11.0 mp -100.08 136.39 40.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.906 0.384 . . . . 0.0 110.819 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 216' ' ' GLU . . . . . 0.451 ' CD ' HE22 ' C' ' 202' ' ' GLN . 38.0 tt0 -91.78 121.25 33.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.103 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 217' ' ' VAL . . . . . 0.531 ' O ' ' N ' ' C' ' 201' ' ' MET . 34.0 m -145.01 -162.82 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.926 0.393 . . . . 0.0 110.904 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 218' ' ' GLU . . . . . 0.521 ' N ' ' OD2' ' C' ' 221' ' ' ASP . 5.5 mt-10 -140.06 171.16 8.26 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.725 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -73.44 -32.27 8.15 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 122.303 2.002 . . . . 0.0 112.031 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.64 1.13 35.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.446 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 221' ' ' ASP . . . . . 0.521 ' OD2' ' N ' ' C' ' 218' ' ' GLU . 30.5 m-20 -74.57 138.8 43.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.56 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 222' ' ' THR . . . . . 0.528 ' OG1' ' ND2' ' C' ' 225' ' ' ASN . 11.9 p -87.02 139.7 30.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.838 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 24.8 mm -46.8 -37.92 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.296 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -58.49 -45.28 89.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.357 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 225' ' ' ASN . . . . . 0.528 ' ND2' ' OG1' ' C' ' 222' ' ' THR . 55.6 m-80 -61.07 -38.84 87.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.073 179.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 39.7 t -62.28 -44.79 99.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.098 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -57.63 -38.94 75.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.224 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.37 99.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.208 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -60.42 -47.44 86.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.238 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 60.8 mt -61.73 -29.58 46.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.336 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -67.64 -39.3 84.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.058 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -69.49 -25.42 64.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.358 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm -81.68 -60.41 2.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.553 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -88.48 -103.04 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.6 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 178.03 13.63 0.02 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 236' ' ' ILE . . . . . 0.513 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 48.8 mt -83.23 123.2 77.44 Favored Pre-proline 0 C--N 1.33 -0.266 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -58.14 146.65 87.28 Favored 'Trans proline' 0 C--N 1.313 -1.294 0 C-N-CA 121.536 1.49 . . . . 0.0 111.632 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 238' ' ' PRO . . . . . 0.499 ' C ' ' H ' ' C' ' 240' ' ' GLN . 2.7 Cg_endo -51.83 -45.33 39.11 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.3 2.0 . . . . 0.0 111.962 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 239' ' ' ASP . . . . . 0.501 ' N ' ' OD1' ' C' ' 239' ' ' ASP . 0.7 OUTLIER -69.12 13.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.754 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 240' ' ' GLN . . . . . 0.499 ' H ' ' C ' ' C' ' 238' ' ' PRO . 62.2 mt-30 -141.34 33.08 1.69 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.629 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 241' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 65.0 mt-30 -134.6 89.94 2.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.868 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 242' ' ' ARG . . . . . 0.513 ' NH2' ' OE1' ' C' ' 249' ' ' GLN . 33.5 ttm-85 -90.13 129.97 36.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.133 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 10.9 mt -109.66 126.86 54.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.048 0.451 . . . . 0.0 110.985 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.5 mt -122.51 127.0 74.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.085 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 245' ' ' PHE . . . . . 0.528 ' CE1' ' OD2' ' A' ' 25' ' ' ASP . 51.9 t80 -116.15 75.21 0.94 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.902 0.382 . . . . 0.0 111.095 -179.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 54.25 88.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.06 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 247' ' ' GLY . . . . . . . . . . . . . . . 55.65 39.37 75.38 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -150.82 90.76 1.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.491 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 249' ' ' GLN . . . . . 0.513 ' OE1' ' NH2' ' C' ' 242' ' ' ARG . 0.9 OUTLIER -74.47 96.16 2.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.965 179.667 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 250' ' ' LEU . . . . . 0.413 ' O ' ' OE1' ' C' ' 249' ' ' GLN . 9.4 mt -56.78 135.47 55.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.777 -179.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -91.34 161.27 15.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.334 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -24.06 51.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.756 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -100.09 41.21 2.22 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -139.63 176.99 8.26 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 42.3 p -119.62 159.83 23.65 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.872 0.368 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.55 -25.16 65.95 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.694 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 257' ' ' SER . . . . . 0.493 ' C ' ' H ' ' C' ' 259' ' ' TYR . 82.0 p -74.49 -30.6 61.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.768 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -71.5 15.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.693 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 259' ' ' TYR . . . . . 0.493 ' H ' ' C ' ' C' ' 257' ' ' SER . 69.4 m-85 -140.63 6.36 2.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.549 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 1.9 m120 60.53 26.84 16.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.645 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 84.9 mt -78.31 100.23 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.516 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -83.08 -157.28 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.65 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -82.53 161.86 22.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.671 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 51.29 29.06 4.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.583 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 34.5 m -88.97 135.66 33.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.61 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 4.3 m -80.43 150.71 29.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.496 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 7.5 mt -140.94 122.97 15.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.531 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 268' ' ' HIS . . . . . 0.637 ' ND1' ' N ' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -81.6 104.3 11.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.174 179.803 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 47.6 tp -87.66 133.63 33.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.959 0.409 . . . . 0.0 110.879 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 2.5 t -130.62 154.95 41.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.306 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 271' ' ' LEU . . . . . . . . . . . . . 6.2 mt -91.28 110.26 21.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.735 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -84.6 115.67 22.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.345 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 273' ' ' LEU . . . . . 0.751 HD11 ' NH1' ' D' ' 340' ' ' ARG . 0.3 OUTLIER -99.79 -175.76 3.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.45 -179.825 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.453 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 313' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' D' ' 313' ' ' TYR . 16.9 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.766 0.317 . . . . 0.0 110.491 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -78.79 92.77 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.566 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 315' ' ' LEU . . . . . 0.439 HD13 ' OE1' ' D' ' 342' ' ' GLU . 13.5 mt -98.7 45.93 1.0 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.384 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 13.0 t -73.26 -20.54 60.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -156.55 101.74 2.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.84 0.352 . . . . 0.0 110.703 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -129.53 163.82 25.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.21 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -100.32 160.62 14.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.789 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 320' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' D' ' 320' ' ' TYR . 16.6 t80 -60.25 -50.03 75.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.588 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -63.62 -40.9 98.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -58.52 -50.75 72.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.67 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 323' ' ' LEU . . . . . 0.55 HD21 ' CD ' ' D' ' 342' ' ' GLU . 14.7 mt -60.87 -55.63 30.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.39 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 324' ' ' ARG . . . . . 0.416 ' O ' ' ND2' ' D' ' 328' ' ' ASN . 12.2 ttt180 -57.14 -53.35 59.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.587 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 325' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' D' ' 329' ' ' THR . 28.7 t70 -52.51 -51.49 59.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.397 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 326' ' ' THR . . . . . 0.488 ' O ' ' N ' ' D' ' 330' ' ' SER . 56.5 m -54.06 -42.25 69.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.392 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 327' ' ' ILE . . . . . 0.571 ' CD1' ' NH2' ' D' ' 340' ' ' ARG . 86.4 mt -75.06 -23.06 17.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.502 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 328' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' D' ' 324' ' ' ARG . 2.0 m-80 -100.34 0.49 40.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.665 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.485 ' N ' ' O ' ' D' ' 325' ' ' ASP . 73.2 p -132.76 -19.12 2.35 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.167 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 330' ' ' SER . . . . . 0.488 ' N ' ' O ' ' D' ' 326' ' ' THR . 1.5 t -106.04 172.79 6.61 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.124 0.488 . . . . 0.0 111.191 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 331' ' ' CYS . . . . . . . . . . . . . 4.9 m -144.7 28.84 1.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.518 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 332' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' D' ' 333' ' ' ILE . 11.7 m-20 -92.76 95.29 9.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.398 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . 0.469 ' CD1' ' NZ ' ' C' ' 206' ' ' LYS . 2.2 mt -38.52 -42.12 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.701 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -55.21 -57.11 13.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.122 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.19 -50.74 71.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.08 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 57.3 mt -50.51 -46.14 57.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.457 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -66.01 -49.45 67.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.439 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -58.53 -42.79 88.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.161 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 339' ' ' CYS . . . . . . . . . . . . . 90.9 m -61.1 -53.88 51.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.112 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 340' ' ' ARG . . . . . 0.751 ' NH1' HD11 ' C' ' 273' ' ' LEU . 0.0 OUTLIER -50.98 -41.39 59.43 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.402 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -59.65 -51.59 69.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.486 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 342' ' ' GLU . . . . . 0.55 ' CD ' HD21 ' D' ' 323' ' ' LEU . 2.8 pt-20 -71.38 -33.5 69.58 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.709 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 343' ' ' PHE . . . . . 0.538 ' CD1' HD12 ' C' ' 273' ' ' LEU . 1.6 t80 -67.2 -43.7 81.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.572 -179.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -69.63 -50.53 43.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.349 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 50.8 mtp85 -53.77 -51.3 63.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.411 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 71.1 mtt-85 . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.593 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.768 0.318 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -77.52 93.04 4.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.54 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.7 mt -90.39 42.59 1.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.614 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.0 t -87.55 -27.83 22.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.593 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -96.93 29.09 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.72 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -105.66 169.52 8.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.564 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -118.05 168.69 10.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.672 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -60.79 -47.2 87.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.539 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.14 -48.93 79.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.816 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -55.47 -57.89 10.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.63 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.533 HD13 ' CD ' ' A' ' 42' ' ' GLU . 30.1 mt -52.49 -59.53 4.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.607 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.532 HH12 ' N ' ' B' ' 173' ' ' LEU . 15.3 tpt180 -53.04 -42.87 66.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.569 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 29' ' ' THR . 11.0 m-20 -62.62 -48.18 80.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.423 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.513 ' O ' ' N ' ' A' ' 30' ' ' SER . 87.2 m -54.08 -46.66 72.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.6 mt -71.46 -30.42 39.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.715 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.699 HD21 HH12 ' B' ' 142' ' ' ARG . 0.9 OUTLIER -83.5 -23.75 32.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.294 -179.402 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 25' ' ' ASP . 32.6 p -107.64 -43.6 4.46 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.76 0.314 . . . . 0.0 111.052 -179.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.8 OUTLIER -79.3 172.85 13.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.074 0.464 . . . . 0.0 111.166 -179.5 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.434 ' CB ' ' H ' ' B' ' 147' ' ' GLY . 8.2 p -144.35 13.94 1.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.074 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 33' ' ' ILE . 11.4 m-20 -74.08 95.01 2.48 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.536 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.708 ' HA ' HD12 ' A' ' 36' ' ' LEU . 2.4 mt -38.42 -41.44 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.78 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -56.42 -58.75 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.084 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.9 mt -59.04 -42.92 91.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.043 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 33' ' ' ILE . 91.0 mt -50.57 -44.1 56.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.95 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.7 -48.63 68.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.064 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.88 -47.06 83.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.274 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.484 ' O ' ' OE2' ' A' ' 42' ' ' GLU . 90.8 m -62.79 -44.18 96.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.143 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.745 HH12 HD12 ' B' ' 171' ' ' LEU . 0.7 OUTLIER -63.26 -28.18 69.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.396 179.711 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -73.58 -61.42 1.84 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.217 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.533 ' CD ' HD13 ' A' ' 23' ' ' LEU . 2.5 pp20? -51.97 -36.31 49.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.989 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.496 ' N ' ' CD ' ' A' ' 42' ' ' GLU . 0.9 OUTLIER -66.46 -52.86 41.82 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.238 179.645 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -60.35 -44.47 95.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.962 0.41 . . . . 0.0 110.153 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 86.8 mtt-85 -55.3 -56.43 20.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.281 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 71.8 mtt-85 -48.92 -39.0 24.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.563 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -79.86 -20.7 45.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.287 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -80.55 -32.24 36.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.49 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.3 p -103.69 144.43 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.494 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.521 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 45.5 t80 59.78 30.08 19.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.512 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 18.0 t60 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.543 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.529 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -94.7 114.36 26.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.66 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 21.7 pt -102.26 152.24 5.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.622 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -104.38 128.77 52.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.651 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 99.3 t -116.1 114.41 46.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.358 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . 0.506 ' NZ ' HG21 ' B' ' 166' ' ' THR . 26.4 mttp -84.95 128.02 34.44 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.567 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 24.2 p -76.77 -175.42 3.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.541 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.662 HD12 ' NE ' ' A' ' 40' ' ' ARG . 3.0 mm? -74.3 -29.94 61.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.508 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 6.9 p -80.61 -42.61 21.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.485 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 139.57 6.7 1.12 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -80.47 119.08 22.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.777 0.322 . . . . 0.0 110.638 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 6.5 m -85.51 146.39 26.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.44 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 1.9 mt -132.35 125.47 53.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.592 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 9.8 m -89.76 112.74 24.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.192 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 15.6 mt -116.48 128.8 55.78 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.988 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -78.87 121.19 24.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.024 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' B' ' 101' ' ' MET . 12.1 m -146.74 -177.01 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.997 0.427 . . . . 0.0 110.875 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.608 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 75.1 mt-10 -142.86 151.21 55.88 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.915 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.1 -27.8 4.78 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.61 2.207 . . . . 0.0 112.478 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.4 p -88.27 12.22 14.52 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.195 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . 0.608 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 8.1 m-20 -86.72 134.32 33.6 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.407 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . 0.402 ' O ' ' N ' ' B' ' 125' ' ' ASN . 13.1 p -83.9 135.0 34.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.957 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 27.0 mm -43.44 -49.03 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.259 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -51.35 -38.51 53.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.142 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' B' ' 122' ' ' THR . 10.2 t-20 -63.89 -38.4 90.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.015 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 16.2 t -64.94 -45.54 94.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.045 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -56.54 -36.53 69.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.21 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.35 -46.4 76.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.324 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -56.05 -49.87 72.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.456 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' B' ' 133' ' ' LYS . 55.3 mt -58.48 -53.54 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.349 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . 0.431 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.9 OUTLIER -46.97 -31.54 3.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.266 179.791 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -75.8 -27.79 58.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.473 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' B' ' 130' ' ' ILE . 46.7 mmtt -80.57 -59.75 2.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.557 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -86.2 -99.72 0.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.525 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . 0.438 ' H ' ' H ' ' B' ' 136' ' ' ILE . . . 178.75 9.46 0.02 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.438 ' H ' ' H ' ' B' ' 135' ' ' GLY . 39.6 mt -79.89 118.82 74.35 Favored Pre-proline 0 CA--C 1.533 0.322 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.49 151.28 76.28 Favored 'Trans proline' 0 N--CA 1.489 1.26 0 C-N-CA 121.566 1.511 . . . . 0.0 111.694 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.525 ' C ' ' H ' ' B' ' 140' ' ' GLN . 2.6 Cg_endo -48.36 -47.24 20.62 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 C-N-CA 122.59 2.194 . . . . 0.0 112.02 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.7 14.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.973 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.525 ' H ' ' C ' ' B' ' 138' ' ' PRO . 31.8 mt-30 -141.41 28.69 1.82 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.578 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . 0.467 ' OE1' ' CG2' ' B' ' 130' ' ' ILE . 48.4 mt-30 -134.43 85.78 2.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.728 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . 0.699 HH12 HD21 ' A' ' 28' ' ' ASN . 2.8 ttm180 -89.99 115.57 27.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.087 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 15.2 mt -92.03 130.14 37.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.613 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.5 mt -129.07 143.17 42.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.429 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . 0.446 ' O ' ' HB3' ' B' ' 146' ' ' ALA . 85.2 t80 -141.12 92.19 2.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.697 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' B' ' 145' ' ' PHE . . . 66.8 79.83 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . 0.434 ' H ' ' CB ' ' A' ' 31' ' ' CYS . . . 39.13 44.2 2.03 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -149.75 112.26 4.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.367 . . . . 0.0 110.617 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -79.44 128.06 32.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.264 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 11.8 mt -81.5 115.48 20.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.694 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -55.88 158.64 3.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.566 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.43 -17.69 33.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.747 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -107.17 38.81 3.14 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 24.3 mmt-85 -139.56 172.39 12.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.642 0.258 . . . . 0.0 110.335 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 14.9 p -110.58 163.58 13.58 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 76.1 mt -59.55 -41.0 89.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.566 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . 0.497 ' C ' ' H ' ' B' ' 159' ' ' TYR . 31.4 p -53.57 -32.83 52.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.834 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -71.79 16.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.704 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . 0.497 ' H ' ' C ' ' B' ' 157' ' ' SER . 72.4 m-85 -140.66 3.9 1.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.604 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . 0.528 ' O ' ' NE2' ' B' ' 162' ' ' GLN . 3.6 m120 60.68 27.5 17.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.714 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 86.6 mt -79.4 104.93 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.495 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . 0.566 ' CD ' ' H ' ' B' ' 162' ' ' GLN . 9.1 mp0 -82.45 -161.08 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.723 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 11.4 ptt-85 -82.72 161.71 22.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.746 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 52.76 21.41 1.91 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.54 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 37.3 m -80.12 139.24 36.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.659 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 166' ' ' THR . . . . . 0.506 HG21 ' NZ ' ' B' ' 106' ' ' LYS . 8.5 m -85.7 146.67 26.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.421 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.1 mt -135.37 146.4 48.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 168' ' ' HIS . . . . . 0.619 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.2 OUTLIER -100.52 107.46 19.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.396 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 37.0 tp -84.67 144.07 28.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.427 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 170' ' ' VAL . . . . . 0.511 HG22 HD13 ' A' ' 36' ' ' LEU . 2.4 t -143.81 167.05 13.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.592 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.745 HD12 HH12 ' A' ' 40' ' ' ARG . 15.9 mt -103.82 101.23 11.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.244 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -60.65 106.99 0.62 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.488 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 173' ' ' LEU . . . . . 0.532 ' N ' HH12 ' A' ' 24' ' ' ARG . 13.2 mt -82.38 159.1 23.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.553 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -60.42 130.7 47.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.535 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . -177.11 36.11 0.09 OUTLIER Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.646 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 201' ' ' MET . . . . . 0.441 ' SD ' ' C ' ' C' ' 218' ' ' GLU . 1.6 ptm . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -72.36 107.24 4.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.609 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 27.3 pt -104.27 144.33 14.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.421 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -97.99 129.96 44.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.549 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 92.8 t -113.89 110.51 32.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.233 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -82.58 149.23 27.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.729 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 207' ' ' THR . . . . . 0.401 ' O ' ' N ' ' C' ' 210' ' ' GLY . 42.0 p -127.17 163.96 22.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.357 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 208' ' ' LEU . . . . . 1.011 ' H ' HD22 ' C' ' 208' ' ' LEU . 0.4 OUTLIER -46.08 -57.81 4.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.503 -179.867 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 209' ' ' THR . . . . . 0.419 HG23 ' H ' ' C' ' 209' ' ' THR . 7.6 p -56.37 -4.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 210' ' ' GLY . . . . . 0.5 ' H ' ' C ' ' C' ' 208' ' ' LEU . . . 86.81 -4.42 86.3 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 211' ' ' LYS . . . . . 0.505 ' NZ ' ' OE2' ' C' ' 234' ' ' GLU . 76.8 tttt -63.63 128.42 35.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 110.491 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 32.0 m -105.42 140.93 37.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.502 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 213' ' ' ILE . . . . . 0.41 HD13 HG21 ' C' ' 213' ' ' ILE . 4.7 mt -125.06 130.65 73.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.493 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 214' ' ' THR . . . . . 0.49 ' C ' HD22 ' C' ' 215' ' ' LEU . 4.9 m -98.48 105.88 18.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.545 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 215' ' ' LEU . . . . . 0.817 HD22 ' N ' ' C' ' 215' ' ' LEU . 2.3 mm? -99.27 131.53 45.23 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.665 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -88.49 76.0 8.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.067 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 217' ' ' VAL . . . . . 0.444 HG21 ' CD1' ' C' ' 256' ' ' LEU . 9.0 m -100.35 -160.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.11 0.481 . . . . 0.0 111.102 -179.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 218' ' ' GLU . . . . . 0.518 ' N ' ' OD2' ' C' ' 221' ' ' ASP . 2.4 mt-10 -148.16 170.27 7.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.613 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 219' ' ' PRO . . . . . 0.416 ' N ' ' SD ' ' C' ' 201' ' ' MET . 3.4 Cg_exo -72.73 -13.01 26.94 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 C-N-CA 122.31 2.006 . . . . 0.0 112.375 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.1 p -103.17 7.62 38.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.328 . . . . 0.0 110.583 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 221' ' ' ASP . . . . . 0.518 ' OD2' ' N ' ' C' ' 218' ' ' GLU . 6.4 m-20 -83.18 139.12 33.34 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.527 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 222' ' ' THR . . . . . 0.426 ' OG1' ' OD1' ' C' ' 225' ' ' ASN . 12.8 p -85.15 139.31 31.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.882 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 37.1 mm -46.2 -39.92 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.474 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -57.36 -45.22 84.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.429 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 225' ' ' ASN . . . . . 0.426 ' OD1' ' OG1' ' C' ' 222' ' ' THR . 2.8 m120 -60.61 -40.03 90.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.098 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 22.9 t -61.65 -43.75 97.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.026 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 227' ' ' LYS . . . . . 0.441 ' O ' ' OE1' ' C' ' 241' ' ' GLN . 18.2 mttp -57.02 -40.87 77.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.072 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.52 97.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.305 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -61.17 -51.09 70.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.46 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 57.9 mt -57.54 -45.89 86.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.41 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 231' ' ' GLN . . . . . 0.494 ' N ' HE22 ' C' ' 241' ' ' GLN . 1.0 OUTLIER -56.75 -29.55 62.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.414 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -72.57 -39.99 66.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.337 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -70.65 -62.02 1.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.266 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 234' ' ' GLU . . . . . 0.505 ' OE2' ' NZ ' ' C' ' 211' ' ' LYS . 28.8 mm-40 -80.1 -103.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.51 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 235' ' ' GLY . . . . . 0.423 ' H ' ' H ' ' C' ' 236' ' ' ILE . . . 178.73 3.08 0.02 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 236' ' ' ILE . . . . . 0.524 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 52.8 mt -74.27 123.6 89.3 Favored Pre-proline 0 C--N 1.329 -0.292 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -58.5 152.56 54.09 Favored 'Trans proline' 0 C--N 1.314 -1.26 0 C-N-CA 121.594 1.529 . . . . 0.0 111.522 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 238' ' ' PRO . . . . . 0.497 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.6 Cg_endo -48.57 -68.07 0.1 OUTLIER 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 122.458 2.105 . . . . 0.0 111.968 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 239' ' ' ASP . . . . . 0.449 ' N ' ' OD1' ' C' ' 239' ' ' ASP . 3.4 m-20 -42.5 -23.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 240' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' C' ' 238' ' ' PRO . 23.9 mt-30 -101.52 32.49 3.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.852 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 241' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 87.5 mt-30 -134.6 82.99 2.0 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.778 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 242' ' ' ARG . . . . . 0.686 ' HE ' ' NE2' ' C' ' 249' ' ' GLN . 27.5 ttt85 -89.92 120.17 30.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.23 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 16.0 mt -97.46 129.18 44.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.089 0.471 . . . . 0.0 111.063 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.5 mt -127.38 119.82 53.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.19 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 245' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -100.75 78.48 1.97 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.886 0.374 . . . . 0.0 110.966 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 54.23 79.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 247' ' ' GLY . . . . . 0.662 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 59.99 42.08 98.19 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -150.86 92.2 1.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.786 0.327 . . . . 0.0 110.641 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 249' ' ' GLN . . . . . 0.686 ' NE2' ' HE ' ' C' ' 242' ' ' ARG . 13.8 tt0 -68.97 118.26 11.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.107 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 12.2 mt -79.59 138.32 37.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.913 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -81.87 158.98 23.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.391 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.05 -4.92 59.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.726 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -117.67 35.49 4.07 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 254' ' ' ARG . . . . . 0.425 ' HE ' ' HB3' ' C' ' 258' ' ' ASP . 17.7 mmm-85 -139.35 171.12 14.74 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 16.2 p -108.84 163.7 13.04 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.699 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 256' ' ' LEU . . . . . 0.444 ' CD1' HG21 ' C' ' 217' ' ' VAL . 83.1 mt -62.24 -33.43 74.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.806 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 257' ' ' SER . . . . . . . . . . . . . 5.4 p -61.59 -42.66 99.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.766 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 258' ' ' ASP . . . . . 0.425 ' HB3' ' HE ' ' C' ' 254' ' ' ARG . 1.2 m-20 -49.92 -41.28 45.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.625 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -85.12 1.12 49.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.72 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 260' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' C' ' 260' ' ' ASN . 4.8 t30 61.27 26.39 16.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 77.9 mt -69.69 109.3 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.292 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -79.24 -170.67 2.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -81.06 161.15 24.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.716 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 56.42 27.94 12.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.742 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 36.8 m -83.75 132.69 34.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.466 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 10.1 m -90.63 100.37 13.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.553 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 5.1 mt -85.88 164.96 17.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.462 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 268' ' ' HIS . . . . . 0.646 ' ND1' ' N ' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -114.85 101.1 8.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.042 179.74 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 42.2 tp -81.15 143.17 32.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.723 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 270' ' ' VAL . . . . . 0.47 HG22 HD13 ' D' ' 336' ' ' LEU . 1.9 t -143.09 156.82 17.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.312 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 271' ' ' LEU . . . . . 0.66 ' N ' HD12 ' C' ' 271' ' ' LEU . 7.3 mp -98.62 98.74 9.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.372 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -52.24 101.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.507 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 273' ' ' LEU . . . . . 0.501 HD13 ' CG ' ' D' ' 343' ' ' PHE . 21.7 mt -75.38 143.76 42.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.527 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.553 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 313' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' D' ' 313' ' ' TYR . 10.6 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.773 0.32 . . . . 0.0 110.522 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 314' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' D' ' 314' ' ' ASP . 1.8 m-20 -79.35 92.74 5.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.561 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 315' ' ' LEU . . . . . 0.548 HD13 ' OE1' ' D' ' 342' ' ' GLU . 13.6 mt -107.55 46.19 0.96 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.282 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 7.4 t -64.83 -29.95 70.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.815 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 25.4 pttt -158.89 106.24 1.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.758 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -121.94 -175.07 3.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.064 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -123.07 163.5 20.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.654 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 320' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' D' ' 320' ' ' TYR . 10.8 t80 -63.3 -49.77 72.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.547 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -62.06 -35.93 80.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.697 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -67.85 -55.21 13.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.675 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 323' ' ' LEU . . . . . 0.625 HD21 ' CD ' ' D' ' 342' ' ' GLU . 15.2 mt -58.27 -57.41 13.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.594 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 324' ' ' ARG . . . . . 0.5 ' O ' ' ND2' ' D' ' 328' ' ' ASN . 7.9 tpt180 -53.11 -47.96 68.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.614 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 325' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' D' ' 329' ' ' THR . 5.3 t70 -60.1 -48.46 81.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.67 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 326' ' ' THR . . . . . 0.557 ' O ' ' N ' ' D' ' 330' ' ' SER . 12.2 m -52.56 -48.5 66.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.7 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 327' ' ' ILE . . . . . 0.437 HG23 HD22 ' D' ' 336' ' ' LEU . 90.6 mt -68.05 -31.86 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.677 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 328' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' D' ' 324' ' ' ARG . 1.5 m-80 -88.38 -12.65 42.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.161 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.538 ' N ' ' O ' ' D' ' 325' ' ' ASP . 59.1 p -115.96 -16.07 11.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.862 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 330' ' ' SER . . . . . 0.557 ' N ' ' O ' ' D' ' 326' ' ' THR . 3.3 t -111.04 -179.26 3.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.008 0.432 . . . . 0.0 110.889 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 331' ' ' CYS . . . . . 0.662 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 10.0 p -149.15 8.55 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.101 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 332' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' D' ' 333' ' ' ILE . 6.8 m-20 -70.06 93.84 0.83 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.426 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . 0.675 ' HA ' HD12 ' D' ' 336' ' ' LEU . 2.3 mt -38.71 -41.38 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.686 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -55.71 -54.5 43.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.169 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 335' ' ' LEU . . . . . 0.446 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 9.2 mt -62.33 -38.31 88.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.135 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 336' ' ' LEU . . . . . 0.675 HD12 ' HA ' ' D' ' 333' ' ' ILE . 90.1 mt -56.5 -44.05 80.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.199 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -68.45 -49.23 61.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.494 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.31 95.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.393 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 339' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 76.5 m -61.97 -53.4 56.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.254 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 340' ' ' ARG . . . . . 0.564 HH21 HD22 ' C' ' 271' ' ' LEU . 16.4 mtp-105 -52.94 -39.07 62.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.24 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -62.2 -62.74 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.604 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 342' ' ' GLU . . . . . 0.625 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.9 pt-20 -59.05 -34.65 72.17 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.545 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 343' ' ' PHE . . . . . 0.501 ' CG ' HD13 ' C' ' 273' ' ' LEU . 14.9 t80 -59.64 -49.04 79.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.644 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -73.18 -53.53 10.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.532 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -45.88 -44.02 14.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.473 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.451 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.689 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 11' ' ' LYS . 6.9 t -171.96 132.0 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.776 0.322 . . . . 0.0 110.538 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 10' ' ' THR . 45.6 tttm 59.37 120.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.607 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -74.83 -156.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.544 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -129.77 140.31 51.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.495 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -78.82 92.92 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.545 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 mt -91.2 37.76 0.95 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.569 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.7 t -79.72 -32.59 41.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.601 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 pttm -81.37 1.16 34.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.63 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -81.96 176.62 9.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.536 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -122.77 168.01 12.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.441 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.409 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 32.4 t80 -62.34 -46.95 86.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.759 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.81 -46.71 89.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.758 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -57.66 -57.17 13.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.662 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.574 HD13 ' OE1' ' A' ' 42' ' ' GLU . 23.3 mt -52.15 -60.71 2.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.499 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.697 ' NH1' HD21 ' A' ' 28' ' ' ASN . 14.8 tpt85 -52.8 -53.35 49.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.065 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' A' ' 29' ' ' THR . 5.6 t70 -51.05 -51.93 48.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.976 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.554 ' O ' ' N ' ' A' ' 30' ' ' SER . 29.7 m -48.33 -50.49 30.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.49 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 84.7 mt -69.02 -21.1 25.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.628 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.697 HD21 ' NH1' ' A' ' 24' ' ' ARG . 1.1 m-80 -104.79 3.49 31.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.433 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.541 ' N ' ' O ' ' A' ' 25' ' ' ASP . 36.8 p -145.49 -2.58 0.76 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.362 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.554 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.2 t -118.26 163.62 16.4 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.07 0.462 . . . . 0.0 111.042 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.408 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 19.9 p -139.06 88.47 2.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.29 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -159.71 97.98 1.34 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.497 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.2 mt -39.56 -38.57 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.761 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -60.62 -59.05 6.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.352 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.7 mt -59.87 -47.19 86.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.14 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.9 mt -50.55 -43.4 56.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.424 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.45 -49.16 67.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.279 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.35 -44.9 92.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.381 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.495 ' O ' ' OE2' ' A' ' 42' ' ' GLU . 97.8 m -63.02 -44.57 95.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.23 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -65.85 -27.08 67.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.43 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -70.99 -61.4 1.77 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.574 ' OE1' HD13 ' A' ' 23' ' ' LEU . 3.0 pp20? -55.27 -34.53 64.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.95 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.476 ' N ' ' CD ' ' A' ' 42' ' ' GLU . 5.8 t80 -63.83 -49.01 74.49 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.183 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 42.7 m170 -64.34 -41.73 96.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.314 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.522 ' O ' ' N ' ' A' ' 49' ' ' VAL . 97.7 mtt180 -55.3 -54.08 48.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.353 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 -45.94 -34.37 3.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.59 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.0 mt -80.22 -35.35 36.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.493 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.3 mttm -86.58 -9.58 55.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.688 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.542 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 73.2 t -98.49 124.62 51.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.703 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.542 ' CD2' ' O ' ' A' ' 49' ' ' VAL . 19.6 m-85 -162.73 99.22 1.0 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.322 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.463 ' ND1' ' OXT' ' A' ' 51' ' ' HIS . 48.5 t-80 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.556 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.538 ' N ' ' O ' ' B' ' 117' ' ' VAL . 34.8 ttp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -85.32 133.49 34.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.546 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 19.3 pt -133.53 148.55 30.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.611 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -101.87 144.56 30.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.745 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 39.8 t -127.67 107.53 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.248 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -80.77 132.68 35.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.7 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . 0.445 HG23 ' O ' ' B' ' 111' ' ' LYS . 40.9 p -89.41 -170.02 2.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.209 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.656 HD22 ' N ' ' B' ' 108' ' ' LEU . 2.9 mm? -75.91 -55.31 5.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.528 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . 0.472 ' H ' HG23 ' B' ' 109' ' ' THR . 7.1 p -56.38 -47.71 78.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.566 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 146.86 -1.85 0.83 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.445 ' O ' HG23 ' B' ' 107' ' ' THR . 50.9 tttp -74.85 124.97 27.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.84 0.353 . . . . 0.0 110.578 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 6.8 m -97.57 155.38 16.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.555 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 4.0 mt -134.2 129.37 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.593 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 14.0 m -92.87 117.34 29.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.406 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 24.9 mt -119.67 130.87 55.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.774 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -88.35 123.07 32.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.137 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' B' ' 101' ' ' MET . 15.5 m -147.81 -168.05 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.861 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.421 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 10.4 mm-40 -141.16 149.52 55.63 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.944 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.82 -20.45 1.1 Allowed 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.584 2.189 . . . . 0.0 112.631 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.3 p -94.93 11.92 30.12 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.228 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . 0.421 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 1.9 m-20 -84.12 135.78 34.26 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.347 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . 0.499 ' O ' ' N ' ' B' ' 125' ' ' ASN . 6.9 p -84.74 132.64 34.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.782 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 28.0 mm -42.43 -31.58 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.057 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -66.85 -39.95 87.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.166 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' B' ' 122' ' ' THR . 16.9 m120 -64.74 -38.95 92.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.941 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 14.1 t -65.19 -51.92 59.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.959 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . 0.403 ' HZ2' ' HB3' ' B' ' 141' ' ' GLN . 54.2 mttm -49.91 -39.26 39.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.037 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.0 -45.75 87.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.254 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -55.7 -39.1 70.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.305 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 8.9 mt -68.8 -39.42 80.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.259 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -58.34 -31.55 67.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.252 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -77.48 -42.24 36.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.636 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -64.55 -63.2 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.594 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -86.11 -108.11 0.05 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.629 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -172.98 11.57 0.04 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.789 -0.925 . . . . 0.0 110.789 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.555 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 45.2 mt -86.06 115.78 63.22 Favored Pre-proline 0 C--N 1.329 -0.307 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -64.24 153.38 76.86 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 121.534 1.489 . . . . 0.0 111.621 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.526 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.6 Cg_endo -48.11 -67.77 0.1 Allowed 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.503 2.135 . . . . 0.0 111.942 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -40.31 -23.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.991 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' B' ' 138' ' ' PRO . 27.3 mt-30 -101.48 33.67 2.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.7 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.555 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 81.4 mt-30 -134.61 164.44 27.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.685 ' HE ' ' NE2' ' B' ' 149' ' ' GLN . 16.7 ttt85 -170.42 105.96 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.859 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 11.3 mt -89.37 141.9 28.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.7 mt -127.97 133.21 67.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.985 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . 0.498 ' O ' ' N ' ' B' ' 148' ' ' LYS . 45.8 t80 -140.84 156.62 46.09 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.581 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 40.78 27.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.646 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' B' ' 145' ' ' PHE . . . 70.53 38.23 68.8 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' B' ' 145' ' ' PHE . 76.4 mttt -147.21 133.69 19.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.755 0.312 . . . . 0.0 110.617 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . 0.685 ' NE2' ' HE ' ' B' ' 142' ' ' ARG . 8.5 tt0 -68.99 138.13 54.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.384 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 16.7 mt -95.24 137.13 34.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.893 0.377 . . . . 0.0 110.662 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -84.19 163.02 19.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.636 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.7 -35.88 33.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.835 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -88.68 40.35 3.08 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.384 -0.687 . . . . 0.0 111.384 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -139.65 170.53 15.73 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 29.4 p -113.67 167.91 10.22 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.897 0.379 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . 0.432 ' CD1' HG21 ' B' ' 117' ' ' VAL . 84.5 mt -62.54 -39.53 93.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.68 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . 0.459 ' C ' ' H ' ' B' ' 159' ' ' TYR . 10.4 t -63.75 -30.46 71.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -69.41 10.68 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.783 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . 0.459 ' H ' ' C ' ' B' ' 157' ' ' SER . 48.2 m-85 -140.72 13.05 2.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.508 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' B' ' 160' ' ' ASN . 53.4 t-20 59.2 23.44 11.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.648 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 93.0 mt -76.12 94.86 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.445 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -80.02 -156.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.688 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -80.96 159.79 24.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.741 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 54.88 36.08 25.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.701 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 26.4 m -88.24 137.67 32.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.532 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 4.9 m -92.89 107.7 19.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.581 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 11.2 mt -99.74 123.73 44.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.662 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 168' ' ' HIS . . . . . 0.691 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -81.49 111.32 17.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.035 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 27.5 tp -89.83 122.7 33.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.705 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.1 t -122.78 139.03 50.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.264 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.652 HD12 ' N ' ' B' ' 171' ' ' LEU . 8.0 mp -81.03 101.94 9.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.555 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -57.73 103.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.484 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . 0.459 HD13 ' CG ' ' A' ' 43' ' ' PHE . 21.6 mt -70.12 113.92 7.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.579 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -85.17 131.44 34.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.487 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 179.7 -79.82 0.06 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.692 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 201' ' ' MET . . . . . 0.541 ' N ' ' O ' ' C' ' 217' ' ' VAL . 31.5 ttp . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 202' ' ' GLN . . . . . 0.412 ' N ' ' CG ' ' C' ' 201' ' ' MET . 61.7 mt-30 -126.77 113.1 16.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.265 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 25.9 pt -110.46 148.89 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.969 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 204' ' ' PHE . . . . . 0.447 ' HD1' ' HG1' ' C' ' 214' ' ' THR . 57.5 m-85 -103.25 157.1 17.24 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.388 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 23.2 t -136.5 105.1 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.228 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -81.35 129.78 34.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.639 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 207' ' ' THR . . . . . 0.434 HG23 ' O ' ' C' ' 211' ' ' LYS . 36.8 p -87.79 -171.6 3.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.381 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 208' ' ' LEU . . . . . 0.628 HD22 ' N ' ' C' ' 208' ' ' LEU . 3.2 mm? -71.03 -59.35 2.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.544 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 17.3 p -56.39 -46.49 80.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.542 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 149.95 -13.07 0.98 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 211' ' ' LYS . . . . . 0.434 ' O ' HG23 ' C' ' 207' ' ' THR . 82.7 tttt -57.58 118.31 5.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.81 0.338 . . . . 0.0 110.595 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 18.1 m -97.63 154.39 17.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.504 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 1.5 mt -135.7 126.57 43.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.617 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 214' ' ' THR . . . . . 0.447 ' HG1' ' HD1' ' C' ' 204' ' ' PHE . 17.9 m -98.51 128.31 44.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.439 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 36.4 mt -131.42 136.44 48.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.874 0.369 . . . . 0.0 110.781 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -86.3 123.9 32.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.184 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 217' ' ' VAL . . . . . 0.541 ' O ' ' N ' ' C' ' 201' ' ' MET . 16.1 m -147.74 -174.55 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.928 0.394 . . . . 0.0 110.968 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 218' ' ' GLU . . . . . 0.464 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 48.1 mt-10 -133.6 151.87 77.99 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.9 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.37 -26.68 4.21 Favored 'Trans proline' 0 C--N 1.31 -1.492 0 C-N-CA 122.608 2.205 . . . . 0.0 112.577 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 2.8 p -79.91 -28.81 39.76 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.139 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 221' ' ' ASP . . . . . 0.464 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 1.2 m-20 -42.69 135.61 2.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.915 0.388 . . . . 0.0 110.65 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 222' ' ' THR . . . . . 0.438 ' O ' ' N ' ' C' ' 225' ' ' ASN . 19.3 p -89.51 139.17 30.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.538 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 19.4 mm -43.77 -47.32 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.524 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -55.68 -33.49 64.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.402 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 225' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' C' ' 222' ' ' THR . 11.6 t30 -67.87 -42.08 81.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.218 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 22.0 t -63.85 -47.31 91.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.24 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -55.75 -38.73 70.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.111 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.39 98.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.184 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -60.18 -46.62 89.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.339 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 61.2 mt -59.96 -40.14 82.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.27 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 231' ' ' GLN . . . . . 0.574 HE22 ' C ' ' C' ' 235' ' ' GLY . 2.0 tp-100 -61.35 -30.91 70.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.219 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -78.36 -17.63 56.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.48 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -89.94 -61.8 1.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.594 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -85.38 -107.0 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.576 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 235' ' ' GLY . . . . . 0.574 ' C ' HE22 ' C' ' 231' ' ' GLN . . . -175.98 18.04 0.04 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 236' ' ' ILE . . . . . 0.507 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 23.9 mt -89.53 114.39 60.31 Favored Pre-proline 0 C--N 1.33 -0.263 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.14 150.03 81.55 Favored 'Trans proline' 0 N--CA 1.488 1.197 0 C-N-CA 121.46 1.44 . . . . 0.0 111.487 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -47.63 -56.74 2.82 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.337 2.025 . . . . 0.0 111.854 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 239' ' ' ASP . . . . . 0.486 ' O ' ' NE ' ' C' ' 272' ' ' ARG . 2.6 p-10 -50.14 -21.44 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.54 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -106.54 33.89 3.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.634 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 241' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 79.6 mt-30 -134.37 150.25 50.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.604 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 242' ' ' ARG . . . . . 0.492 ' NH2' ' OD1' ' D' ' 328' ' ' ASN . 41.7 ttt85 -155.63 115.79 3.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.166 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 243' ' ' LEU . . . . . 0.502 ' CD1' ' N ' ' C' ' 243' ' ' LEU . 6.6 mp -93.71 126.48 38.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.801 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.4 mt -128.33 117.59 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 245' ' ' PHE . . . . . 0.53 ' CE2' ' OD2' ' A' ' 25' ' ' ASP . 44.9 t80 -105.71 77.41 1.26 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.896 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 62.21 89.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.808 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 247' ' ' GLY . . . . . 0.58 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 45.92 43.01 12.12 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -150.81 97.66 2.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 110.697 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 249' ' ' GLN . . . . . 0.579 HE21 ' C ' ' C' ' 250' ' ' LEU . 0.3 OUTLIER -76.62 118.23 19.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.096 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 250' ' ' LEU . . . . . 0.579 ' C ' HE21 ' C' ' 249' ' ' GLN . 10.7 mt -77.51 137.47 38.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 111.044 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -80.8 160.37 24.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.4 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.62 -7.04 59.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.867 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -117.52 40.95 2.19 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -137.23 175.41 9.64 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 255' ' ' THR . . . . . 0.489 ' C ' ' H ' ' C' ' 257' ' ' SER . 21.9 p -119.36 157.2 28.64 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.542 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 256' ' ' LEU . . . . . 0.411 ' CD1' HG21 ' C' ' 217' ' ' VAL . 94.1 mt -57.87 -3.63 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.606 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 257' ' ' SER . . . . . 0.489 ' H ' ' C ' ' C' ' 255' ' ' THR . 76.9 p -96.4 -20.58 18.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.623 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.8 10.82 4.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.705 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -140.59 8.9 2.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.61 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 260' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' C' ' 260' ' ' ASN . 3.1 t30 61.33 14.35 5.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 74.0 mt -61.74 94.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.366 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 262' ' ' GLN . . . . . 0.418 ' C ' ' SD ' ' C' ' 201' ' ' MET . 3.7 tt0 -76.95 -156.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.697 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -83.71 156.9 22.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.932 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 59.57 33.8 22.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.963 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 39.9 m -89.19 126.84 35.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.534 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 9.6 m -85.67 110.73 19.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.562 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 11.9 mt -99.45 120.46 39.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.706 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 268' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -76.82 113.47 14.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.343 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 30.1 tp -90.09 124.08 34.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.61 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 270' ' ' VAL . . . . . 0.426 ' CG2' HD13 ' D' ' 336' ' ' LEU . 2.2 t -124.78 139.45 50.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.179 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 271' ' ' LEU . . . . . 0.633 ' N ' HD12 ' C' ' 271' ' ' LEU . 8.3 mp -74.71 103.58 5.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.657 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 272' ' ' ARG . . . . . 0.486 ' NE ' ' O ' ' C' ' 239' ' ' ASP . 53.2 ttp85 -61.1 105.43 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.483 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 273' ' ' LEU . . . . . . . . . . . . . 23.2 mt -71.75 171.61 11.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.624 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 -71.26 -174.76 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.588 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . -179.01 -86.03 0.06 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.556 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.648 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 310' ' ' THR . . . . . 0.431 ' O ' ' O ' ' D' ' 311' ' ' LYS . 6.2 t -163.62 134.71 4.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.329 . . . . 0.0 110.551 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 311' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' D' ' 310' ' ' THR . 27.5 mmtt 40.35 94.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.716 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 312' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt -126.49 -176.49 3.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.489 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -114.73 147.22 40.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.508 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -84.73 92.84 8.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.512 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 15.2 mt -95.09 33.65 1.5 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.543 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 56.2 m -91.19 18.53 6.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.657 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -144.37 26.52 1.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.587 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -96.23 171.24 8.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.397 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.418 ' H ' ' HB2' ' D' ' 322' ' ' GLU . 27.6 mmtp -121.58 165.83 15.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.497 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -54.22 -49.02 70.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.554 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 321' ' ' ALA . . . . . 0.41 ' O ' ' CB ' ' D' ' 325' ' ' ASP . . . -63.11 -41.35 99.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 322' ' ' GLU . . . . . 0.418 ' HB2' ' H ' ' D' ' 319' ' ' LYS . 64.0 mm-40 -56.56 -59.43 5.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.748 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.53 HD21 ' CD ' ' D' ' 342' ' ' GLU . 15.3 mt -58.19 -57.82 11.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.643 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 324' ' ' ARG . . . . . 0.68 ' NH1' HD21 ' D' ' 328' ' ' ASN . 10.5 tpt85 -53.99 -53.28 55.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.064 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 325' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' D' ' 329' ' ' THR . 36.5 t70 -63.32 -44.75 94.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.968 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 326' ' ' THR . . . . . 0.457 ' O ' ' CB ' ' D' ' 330' ' ' SER . 65.6 m -59.12 -39.29 81.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.606 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 327' ' ' ILE . . . . . 0.552 HG23 HD22 ' D' ' 336' ' ' LEU . 78.7 mt -73.31 -32.97 39.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.176 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 328' ' ' ASN . . . . . 0.68 HD21 ' NH1' ' D' ' 324' ' ' ARG . 0.9 OUTLIER -85.33 -21.73 28.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.975 -179.701 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.492 ' N ' ' O ' ' D' ' 325' ' ' ASP . 57.9 p -102.28 -36.56 8.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.926 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 330' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' D' ' 326' ' ' THR . 1.2 t -92.04 179.55 5.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.971 0.415 . . . . 0.0 111.039 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 331' ' ' CYS . . . . . 0.58 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 11.3 p -147.24 9.56 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.213 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 332' ' ' ASP . . . . . 0.43 ' CB ' HD12 ' D' ' 335' ' ' LEU . 0.7 OUTLIER -66.35 93.85 0.24 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.432 -179.672 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 1.6 mt -38.52 -46.51 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.953 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -53.28 -57.34 10.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.114 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 335' ' ' LEU . . . . . 0.508 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 9.5 mt -57.72 -46.22 84.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.018 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 336' ' ' LEU . . . . . 0.552 HD22 HG23 ' D' ' 327' ' ' ILE . 93.3 mt -51.51 -43.07 62.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.51 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -67.22 -49.08 65.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.707 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -68.13 -32.85 73.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.984 0.421 . . . . 0.0 110.714 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 339' ' ' CYS . . . . . 0.508 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 84.3 m -68.29 -43.37 77.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.19 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 340' ' ' ARG . . . . . 0.4 ' CZ ' ' CB ' ' D' ' 340' ' ' ARG . 10.1 mtp-105 -69.55 -40.45 76.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.942 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 341' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' D' ' 342' ' ' GLU . 5.1 pt-20 -63.84 -43.93 94.69 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.632 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 342' ' ' GLU . . . . . 0.53 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.8 pt-20 -69.86 -37.88 76.24 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.182 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -59.53 -45.56 91.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.884 0.373 . . . . 0.0 110.277 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -66.97 -53.46 31.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.466 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 345' ' ' ARG . . . . . 0.419 ' O ' HG22 ' D' ' 349' ' ' VAL . 54.8 mtp180 -45.84 -54.84 7.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.235 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -46.15 -38.57 8.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.443 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 76.4 mt -76.54 -50.56 13.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.51 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -63.83 -72.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.568 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 349' ' ' VAL . . . . . 0.431 ' H ' HG22 ' D' ' 349' ' ' VAL . 16.0 m -80.18 -169.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.53 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 350' ' ' TYR . . . . . 0.423 ' CD2' ' O ' ' D' ' 349' ' ' VAL . 72.1 m-85 -156.15 25.86 0.36 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.452 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 351' ' ' HIS . . . . . 0.548 ' ND1' ' N ' ' D' ' 351' ' ' HIS . 4.7 p-80 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.658 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.688 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.1 p -87.92 -155.2 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.03 0.443 . . . . 0.0 110.476 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -108.68 102.75 11.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.53 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.529 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 24.6 mmtp -78.82 -170.13 2.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.485 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.529 ' CD1' ' O ' ' A' ' 12' ' ' LYS . 8.4 m-85 -150.58 112.31 4.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.596 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.3 p30 -79.31 93.63 5.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.454 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.8 mt -91.31 43.7 1.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.8 t -86.24 -5.34 59.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.794 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.9 mttp -147.59 78.19 1.45 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.776 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -128.77 163.21 25.66 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.355 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -107.35 164.34 12.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.536 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -63.08 -49.29 75.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.411 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.05 -38.87 84.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.635 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -63.11 -56.72 14.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.743 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.513 HD21 ' CD ' ' A' ' 42' ' ' GLU . 15.1 mt -54.37 -58.33 7.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.617 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.519 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 5.9 tpt180 -53.01 -52.28 58.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.519 ' OD1' ' CE2' ' C' ' 245' ' ' PHE . 36.8 t0 -53.02 -51.57 61.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.332 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 30' ' ' SER . 6.5 m -50.96 -47.91 61.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.863 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.9 mt -74.36 -18.31 16.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.828 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.668 HD22 ' N ' ' A' ' 28' ' ' ASN . 0.8 OUTLIER -99.63 -4.13 31.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.17 -179.781 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 20.6 p -135.45 -40.74 0.72 Allowed 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.074 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.524 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.9 OUTLIER -71.98 168.42 18.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.968 0.413 . . . . 0.0 111.095 -179.358 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.7 p -146.78 88.01 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.319 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -162.42 99.7 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.604 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.409 HG13 ' H ' ' A' ' 33' ' ' ILE . 5.4 mt -39.87 -36.69 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.633 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -62.1 -58.94 5.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.261 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.0 mt -60.62 -48.29 82.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.046 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.0 mt -53.87 -46.78 71.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.512 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.78 -49.09 79.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.432 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.12 -53.17 59.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.493 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 78.9 m -51.75 -43.65 63.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.371 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.8 mtp85 -65.91 -38.27 88.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.522 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -62.32 -46.05 90.45 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.945 -179.261 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.522 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 3.7 pt-20 -71.08 -35.34 71.82 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.475 ' CG ' HD13 ' B' ' 173' ' ' LEU . 2.9 t80 -61.43 -42.34 98.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.899 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -68.61 -53.82 20.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.282 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 84.0 mtt-85 -46.42 -53.48 10.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.94 0.4 . . . . 0.0 110.247 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -47.31 -40.57 17.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.51 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.6 mt -72.75 -49.19 32.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.552 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -48.83 -51.68 28.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.595 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.9 m -75.1 -171.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.585 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -77.28 64.56 2.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.625 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 78.7 m80 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.653 -179.91 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.543 ' N ' ' O ' ' B' ' 117' ' ' VAL . 30.3 ttp . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . 0.522 ' OE1' ' N ' ' B' ' 103' ' ' ILE . 0.9 OUTLIER -91.4 130.41 37.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.491 179.852 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.522 ' N ' ' OE1' ' B' ' 102' ' ' GLN . 24.6 pt -134.75 146.3 30.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.79 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -100.62 136.4 40.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.735 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 85.4 t -122.82 105.09 15.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.279 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -91.22 135.33 33.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.678 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 31.3 p -90.78 -163.35 1.01 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.408 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.955 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.4 OUTLIER -86.31 -26.48 24.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.505 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 4.5 p -76.78 -46.13 26.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.562 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 142.21 3.5 1.04 Allowed Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -75.71 129.41 37.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.734 0.302 . . . . 0.0 110.659 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 64.6 m -112.15 111.67 22.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.543 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.401 HD13 HG21 ' B' ' 113' ' ' ILE . 7.9 mt -97.45 133.52 38.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.56 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . 0.482 ' C ' HD22 ' B' ' 115' ' ' LEU . 34.5 m -99.7 105.55 17.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.397 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.836 HD22 ' N ' ' B' ' 115' ' ' LEU . 1.9 mm? -101.65 133.21 46.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.762 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -96.22 95.17 7.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.85 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' B' ' 101' ' ' MET . 19.3 m -119.54 -162.37 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.012 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.548 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 17.4 mt-10 -147.78 152.87 41.9 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.841 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -46.04 -43.6 20.04 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.773 2.315 . . . . 0.0 112.759 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.76 15.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.463 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . 0.548 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 2.9 m-20 -91.59 136.07 33.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.363 . . . . 0.0 110.404 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 3.6 p -82.34 140.41 33.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.045 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 34.3 mm -46.53 -47.25 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.235 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -52.79 -37.02 59.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.201 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -65.0 -41.94 94.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.988 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 17.6 t -62.16 -39.81 85.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.963 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -61.09 -36.92 80.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.204 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.71 -42.06 91.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.182 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -61.37 -51.61 68.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.372 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 69.1 mt -56.35 -46.08 81.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.399 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . 0.432 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.7 OUTLIER -55.53 -31.87 62.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.12 179.806 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -70.11 -37.97 75.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.353 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -72.65 -63.68 1.11 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.22 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -79.93 -117.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.633 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -165.26 9.91 0.07 OUTLIER Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.439 ' O ' ' OE1' ' B' ' 141' ' ' GLN . 25.7 mt -79.75 116.31 60.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.91 152.12 76.88 Favored 'Trans proline' 0 C--N 1.314 -1.282 0 C-N-CA 121.497 1.465 . . . . 0.0 111.454 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -47.28 -67.97 0.1 Allowed 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.444 2.096 . . . . 0.0 112.004 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -43.49 -22.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' B' ' 138' ' ' PRO . 23.8 mt-30 -102.63 35.61 2.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.814 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.439 ' OE1' ' O ' ' B' ' 136' ' ' ILE . 33.7 mt-30 -134.62 165.92 24.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.9 0.381 . . . . 0.0 110.811 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.689 HH21 ' NE ' ' B' ' 172' ' ' ARG . 23.1 ttm180 -170.32 132.16 1.0 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.093 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 14.8 mt -112.77 135.27 53.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.061 0.458 . . . . 0.0 111.063 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.7 mt -125.09 128.91 73.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.095 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -146.6 153.62 40.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.555 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 54.56 26.49 7.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 67.9 30.88 74.57 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -147.9 140.48 24.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.746 0.308 . . . . 0.0 110.47 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . 0.572 ' NE2' ' CZ ' ' B' ' 142' ' ' ARG . 31.0 tt0 -73.85 139.24 44.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.516 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 17.5 mt -91.3 139.23 30.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.678 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -78.92 158.29 28.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.575 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.09 3.72 45.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.703 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -122.9 23.81 6.88 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -125.4 172.54 9.55 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 30.4 p -113.83 157.63 22.06 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.893 0.378 . . . . 0.0 110.521 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . 0.497 ' CD1' HG21 ' B' ' 117' ' ' VAL . 64.0 mt -57.24 -22.23 39.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.513 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 7.8 t -79.16 -20.63 47.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.589 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -82.08 12.09 4.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.603 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -140.74 9.75 2.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.545 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 62.78 16.29 8.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 97.2 mt -68.4 92.24 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.809 0.338 . . . . 0.0 110.354 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -78.63 -157.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.749 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . 0.426 ' NH1' ' CG ' ' B' ' 163' ' ' ARG . 14.2 ptt-85 -80.38 161.2 25.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.688 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 57.57 34.33 24.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.753 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 8.6 m -89.45 129.33 35.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.463 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 15.2 m -94.18 99.99 12.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.638 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 2.0 mp -91.77 152.12 20.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.59 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 168' ' ' HIS . . . . . 0.68 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -100.59 117.16 34.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.081 179.715 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 40.0 tp -92.06 130.92 37.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.429 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.0 t -135.88 139.57 45.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.337 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.682 HD12 ' N ' ' B' ' 171' ' ' LEU . 7.8 mp -81.08 110.25 16.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.543 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . 0.689 ' NE ' HH21 ' B' ' 142' ' ' ARG . 16.9 ttm180 -66.02 104.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.547 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . 0.475 HD13 ' CG ' ' A' ' 43' ' ' PHE . 25.4 mt -76.61 102.47 6.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.489 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 16.7 ttp85 -77.63 156.61 30.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 160.05 121.79 0.61 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.682 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 201' ' ' MET . . . . . 0.521 ' N ' ' O ' ' C' ' 217' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -88.58 113.85 24.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.758 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 15.5 pt -107.39 147.74 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.584 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -100.82 145.43 28.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.451 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 91.1 t -129.18 109.12 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.315 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -83.96 138.04 33.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.75 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 18.4 p -101.81 -150.45 0.4 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.346 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 208' ' ' LEU . . . . . 0.943 ' H ' HD22 ' C' ' 208' ' ' LEU . 0.4 OUTLIER -88.8 -44.48 10.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.518 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 209' ' ' THR . . . . . 0.489 ' C ' ' H ' ' C' ' 211' ' ' LYS . 7.5 p -74.39 23.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.599 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 210' ' ' GLY . . . . . 0.488 ' H ' ' C ' ' C' ' 208' ' ' LEU . . . 72.75 -18.23 1.42 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 211' ' ' LYS . . . . . 0.489 ' H ' ' C ' ' C' ' 209' ' ' THR . 78.6 tttt -46.14 159.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.725 0.298 . . . . 0.0 110.559 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 6.6 m -139.49 146.04 39.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.589 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 213' ' ' ILE . . . . . 0.41 HD13 HG21 ' C' ' 213' ' ' ILE . 4.6 mt -128.41 129.67 69.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.73 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 17.4 m -100.67 116.89 33.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.206 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 29.9 mt -124.72 137.38 54.35 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.911 0.386 . . . . 0.0 110.915 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -82.06 126.59 32.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.11 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 217' ' ' VAL . . . . . 0.521 ' O ' ' N ' ' C' ' 201' ' ' MET . 12.9 m -147.05 -174.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.949 0.404 . . . . 0.0 111.002 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 218' ' ' GLU . . . . . 0.589 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 2.9 mt-10 -140.54 149.91 58.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.694 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.9 -43.72 15.05 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.333 2.022 . . . . 0.0 112.293 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.4 p -62.66 -34.44 77.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.093 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 221' ' ' ASP . . . . . 0.589 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 5.9 m-20 -41.65 135.31 2.22 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 110.817 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 41.4 p -86.35 149.13 25.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.804 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 29.8 mm -54.47 -43.95 65.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.321 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 224' ' ' GLU . . . . . 0.42 ' CD ' ' N ' ' C' ' 225' ' ' ASN . 2.4 pp20? -57.2 -39.24 75.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.331 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 225' ' ' ASN . . . . . 0.52 ' OD1' ' NZ ' ' C' ' 229' ' ' LYS . 46.4 t-20 -63.37 -38.37 90.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.086 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 55.4 t -65.04 -55.1 22.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.173 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 227' ' ' LYS . . . . . 0.511 ' NZ ' ' O ' ' C' ' 241' ' ' GLN . 43.5 mttm -48.16 -39.51 21.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.164 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.79 89.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.25 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 229' ' ' LYS . . . . . 0.52 ' NZ ' ' OD1' ' C' ' 225' ' ' ASN . 38.3 mttp -56.2 -39.81 73.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.351 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 6.6 mt -67.44 -37.98 79.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.296 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -62.16 -27.13 68.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.361 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.58 -26.93 29.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.789 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 26.5 mmtm -82.39 -62.82 1.51 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.756 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -85.07 -104.64 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.806 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -175.79 19.55 0.05 OUTLIER Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 236' ' ' ILE . . . . . 0.517 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 17.6 mt -95.18 111.36 54.63 Favored Pre-proline 0 C--N 1.33 -0.266 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -63.74 153.4 75.61 Favored 'Trans proline' 0 C--N 1.314 -1.277 0 C-N-CA 121.604 1.536 . . . . 0.0 111.777 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 238' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.8 Cg_endo -46.76 -60.4 0.89 Allowed 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.673 2.248 . . . . 0.0 111.871 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -45.56 -23.04 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.612 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 240' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' C' ' 238' ' ' PRO . 0.6 OUTLIER -109.56 36.02 3.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.473 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 241' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 55.3 mt-30 -134.42 147.53 50.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.31 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 242' ' ' ARG . . . . . 0.648 ' NH2' HE22 ' C' ' 249' ' ' GLN . 1.1 ttt-85 -154.9 105.84 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.127 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 19.6 mt -86.53 128.34 34.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.615 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.6 mt -127.95 133.13 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.619 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 245' ' ' PHE . . . . . 0.519 ' CE2' ' OD1' ' A' ' 25' ' ' ASP . 65.9 t80 -125.35 90.13 3.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.664 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 246' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' C' ' 245' ' ' PHE . . . 64.42 53.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.804 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 247' ' ' GLY . . . . . 0.512 ' H ' ' HB3' ' D' ' 331' ' ' CYS . . . 77.25 -15.41 6.94 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -81.89 94.28 7.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.349 . . . . 0.0 110.597 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 249' ' ' GLN . . . . . 0.648 HE22 ' NH2' ' C' ' 242' ' ' ARG . 26.8 tt0 -71.66 124.34 24.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.129 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 9.0 mt -83.66 133.77 34.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 110.843 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 251' ' ' GLU . . . . . 0.471 ' CD ' ' N ' ' C' ' 251' ' ' GLU . 1.2 mp0 -86.85 161.43 18.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.44 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.66 -28.15 60.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.865 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -94.92 41.97 2.45 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 36.5 mmt-85 -139.69 177.96 7.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.73 0.3 . . . . 0.0 110.498 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 40.8 p -123.72 164.85 18.3 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.619 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 97.6 mt -65.85 -12.76 56.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.683 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 257' ' ' SER . . . . . 0.489 ' C ' ' H ' ' C' ' 259' ' ' TYR . 9.4 t -85.77 -31.26 22.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.648 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.8 17.21 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.619 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 259' ' ' TYR . . . . . 0.489 ' H ' ' C ' ' C' ' 257' ' ' SER . 65.6 m-85 -140.62 1.77 1.75 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.599 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 2.4 m120 64.13 20.01 12.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 87.5 mt -68.67 102.96 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.442 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -80.79 -156.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.81 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 263' ' ' LYS . . . . . 0.443 ' HD3' ' H ' ' C' ' 263' ' ' LYS . 0.0 OUTLIER -85.41 159.78 19.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.735 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 53.06 32.16 12.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.706 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 53.9 m -81.8 128.75 34.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.513 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 85.5 m -88.81 104.91 17.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.549 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 8.2 mt -91.76 167.25 12.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.586 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 268' ' ' HIS . . . . . 0.627 ' ND1' ' N ' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -121.97 98.31 5.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.021 179.778 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 63.2 tp -78.47 148.57 33.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.781 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 270' ' ' VAL . . . . . 0.485 HG22 HD13 ' D' ' 336' ' ' LEU . 2.1 t -145.29 165.61 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.249 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 271' ' ' LEU . . . . . 0.534 ' N ' HD12 ' C' ' 271' ' ' LEU . 7.5 mp -101.45 84.55 2.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.387 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -45.64 90.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.499 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 273' ' ' LEU . . . . . 0.525 ' O ' ' NH2' ' D' ' 324' ' ' ARG . 26.5 mt -56.8 165.29 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.447 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -172.46 -155.45 0.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.481 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . 82.84 110.75 0.48 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 9.2 p . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.55 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.712 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 19.8 p -67.3 79.38 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.606 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 311' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' D' ' 312' ' ' LYS . 47.9 mtmt -80.94 84.21 6.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.581 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 312' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' D' ' 311' ' ' LYS . 40.3 mmtt 44.57 -172.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.637 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -96.56 134.8 39.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.548 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.01 92.84 6.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.481 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 315' ' ' LEU . . . . . 0.401 HD12 ' OE1' ' D' ' 342' ' ' GLU . 13.8 mt -96.39 36.62 1.33 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.585 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 31.6 p -84.73 18.47 2.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.607 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -146.65 40.9 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.65 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -109.86 176.72 4.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.454 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.508 ' N ' ' OE1' ' D' ' 322' ' ' GLU . 35.0 mttp -125.39 169.86 11.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.614 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -61.6 -46.63 89.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.524 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 321' ' ' ALA . . . . . 0.404 ' O ' ' CB ' ' D' ' 325' ' ' ASP . . . -60.4 -50.36 73.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.687 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 322' ' ' GLU . . . . . 0.508 ' OE1' ' N ' ' D' ' 319' ' ' LYS . 66.3 mt-10 -54.93 -56.9 14.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.827 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.554 HD21 ' CD ' ' D' ' 342' ' ' GLU . 14.2 mt -58.91 -59.74 4.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.661 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 324' ' ' ARG . . . . . 0.525 ' NH2' ' O ' ' C' ' 273' ' ' LEU . 6.9 tpt180 -52.95 -41.28 64.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.685 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 325' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' D' ' 329' ' ' THR . 10.1 t70 -68.53 -45.87 71.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.745 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 326' ' ' THR . . . . . 0.548 ' O ' ' N ' ' D' ' 330' ' ' SER . 29.6 m -57.53 -46.27 84.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.567 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 327' ' ' ILE . . . . . 0.44 HG23 HD22 ' D' ' 336' ' ' LEU . 96.5 mt -72.1 -31.15 38.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.606 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 328' ' ' ASN . . . . . 0.556 HD22 ' N ' ' D' ' 328' ' ' ASN . 0.9 OUTLIER -84.31 -22.92 30.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.026 -179.508 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.517 ' N ' ' O ' ' D' ' 325' ' ' ASP . 61.8 p -108.8 -49.15 3.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.923 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 330' ' ' SER . . . . . 0.548 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.4 OUTLIER -74.36 178.55 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.002 0.429 . . . . 0.0 110.859 -179.563 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 331' ' ' CYS . . . . . 0.512 ' HB3' ' H ' ' C' ' 247' ' ' GLY . 3.0 p -146.46 9.43 1.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.12 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -66.13 91.61 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.485 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . 0.683 ' HA ' HD12 ' D' ' 336' ' ' LEU . 2.2 mt -38.31 -40.8 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.856 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -56.46 -54.73 42.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.236 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 335' ' ' LEU . . . . . 0.497 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 10.1 mt -62.86 -36.56 83.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.301 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 336' ' ' LEU . . . . . 0.683 HD12 ' HA ' ' D' ' 333' ' ' ILE . 93.2 mt -57.01 -43.74 82.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.115 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -69.53 -49.05 58.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.671 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.77 -40.08 94.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.469 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 339' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 85.3 m -64.82 -42.23 95.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.079 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 -66.27 -44.14 84.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.157 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 341' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' D' ' 342' ' ' GLU . 4.2 pt-20 -62.35 -45.07 94.83 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.861 -179.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 342' ' ' GLU . . . . . 0.554 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.2 pt-20 -67.9 -35.96 79.37 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.14 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -60.75 -43.61 97.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.965 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -66.18 -53.09 41.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.197 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -46.34 -54.65 8.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.362 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -47.15 -45.16 22.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.581 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 92.2 mt -64.88 -37.18 86.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.424 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -63.9 -60.59 3.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.539 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 349' ' ' VAL . . . . . 0.445 HG13 ' O ' ' D' ' 349' ' ' VAL . 10.5 p -86.28 130.75 36.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.508 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 350' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -68.45 70.42 0.17 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.553 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 351' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.567 179.934 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . . . . . . 0 CA--C 1.525 0.707 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.625 ' O ' HG23 ' A' ' 10' ' ' THR . 5.7 t -46.82 94.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.932 0.396 . . . . 0.0 110.546 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 9' ' ' GLY . 49.8 tttp -120.75 52.42 1.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.451 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.459 ' N ' ' CD ' ' A' ' 12' ' ' LYS . 2.7 mptp? -53.12 -176.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.473 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 16.7 m-85 -91.26 141.09 29.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.598 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.75 92.97 6.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.562 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.5 mt -94.99 44.9 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.383 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.6 t -80.37 15.88 1.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -172.36 84.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.658 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.6 m95 -133.96 161.75 33.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.318 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -105.37 165.57 11.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.758 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -66.29 -48.49 70.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.621 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.63 -36.3 82.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.804 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.54 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 3.6 mp0 -67.58 -49.12 64.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.573 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.542 HD21 ' CD ' ' A' ' 42' ' ' GLU . 15.3 mt -58.75 -58.99 6.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.286 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.656 HH21 ' NH1' ' B' ' 142' ' ' ARG . 5.5 tpt180 -53.12 -53.14 54.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.449 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.46 ' OD1' ' CZ ' ' C' ' 245' ' ' PHE . 60.7 t0 -52.82 -50.96 62.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.436 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.582 ' O ' ' N ' ' A' ' 30' ' ' SER . 99.5 m -51.16 -48.9 61.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.726 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.5 -25.48 33.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.505 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.664 HD22 ' N ' ' A' ' 28' ' ' ASN . 0.8 OUTLIER -93.08 -7.44 45.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 -179.462 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 14.2 p -129.02 -6.24 4.96 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.656 0.265 . . . . 0.0 110.734 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.582 ' N ' ' O ' ' A' ' 26' ' ' THR . 2.4 t -121.04 147.26 45.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.906 0.384 . . . . 0.0 110.812 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.432 ' HB3' ' H ' ' B' ' 147' ' ' GLY . 12.4 p -119.97 17.18 12.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.041 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' ILE . 10.7 m-20 -75.24 90.94 2.61 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.586 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.636 ' HA ' HD12 ' A' ' 36' ' ' LEU . 3.1 mt -38.7 -39.08 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.824 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -58.62 -59.02 6.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.38 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.449 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 13.4 mt -58.69 -40.17 82.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.139 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 33' ' ' ILE . 90.6 mt -55.74 -43.53 76.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.282 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.04 -48.9 66.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.371 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.65 -45.65 93.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.435 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 71.6 m -59.79 -53.47 57.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.124 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.5 mtp85 -52.99 -42.69 65.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.241 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -57.86 -60.93 2.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.78 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.542 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.4 pt-20 -60.89 -37.87 83.71 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.559 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.462 ' CD1' HD13 ' B' ' 173' ' ' LEU . 12.1 t80 -57.86 -39.4 77.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.348 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -72.04 -53.17 13.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.369 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 59.6 mtt85 -45.86 -48.17 15.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.39 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 -50.5 -34.66 26.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.408 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.0 mt -90.16 -60.19 1.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.564 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -47.16 -30.78 3.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.609 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.439 HG12 ' N ' ' A' ' 50' ' ' TYR . 21.4 t -101.5 158.51 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.459 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 50' ' ' TYR . 11.9 p90 -154.83 50.5 0.6 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.546 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.595 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.523 ' N ' ' O ' ' B' ' 117' ' ' VAL . 31.6 ttp . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -87.1 130.44 34.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.725 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 18.6 pt -132.24 153.28 38.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.461 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -111.34 145.65 38.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.72 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 98.4 t -123.27 109.65 24.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.362 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -82.33 137.25 34.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.645 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . 0.413 HG23 ' O ' ' B' ' 111' ' ' LYS . 64.4 p -103.25 -156.67 0.57 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.397 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.928 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.4 OUTLIER -83.87 -58.4 2.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.466 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 19.8 p -61.22 0.12 0.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.58 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' B' ' 108' ' ' LEU . . . 95.3 -13.32 66.97 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.413 ' O ' HG23 ' B' ' 107' ' ' THR . 43.1 tttp -53.97 122.04 9.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 110.46 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.1 m -104.64 142.61 34.35 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.473 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.416 HD13 HG21 ' B' ' 113' ' ' ILE . 5.7 mt -122.66 129.81 74.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.522 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 8.8 m -99.4 124.85 44.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.361 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 28.0 mt -130.91 140.68 50.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.906 0.384 . . . . 0.0 110.674 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.46 ' N ' ' CD ' ' B' ' 116' ' ' GLU . 19.3 mp0 -89.9 120.65 31.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.221 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' B' ' 101' ' ' MET . 4.1 m -142.01 -168.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.836 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.576 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 10.5 mt-10 -144.88 147.59 35.78 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.017 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.06 -9.8 0.05 OUTLIER 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.32 2.014 . . . . 0.0 112.25 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . 0.495 ' N ' ' O ' ' B' ' 118' ' ' GLU . 2.4 p -104.64 11.74 33.78 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.882 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . 0.576 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 1.1 m-20 -86.35 135.37 33.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.326 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 7.9 p -81.95 134.74 35.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 30.9 mm -44.93 -46.57 2.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.258 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -54.06 -36.41 63.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.15 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.61 -41.62 92.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.087 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 18.2 t -62.77 -42.75 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.027 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -58.34 -39.04 78.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.094 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.15 97.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.195 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -60.39 -50.3 74.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.286 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 79.2 mt -57.17 -47.09 84.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.372 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.01 -29.74 58.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.309 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -72.61 -40.19 66.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.45 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -71.21 -64.91 0.82 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.215 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -77.91 -116.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.501 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -167.11 10.66 0.06 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.443 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 40.4 mt -80.76 116.28 61.22 Favored Pre-proline 0 C--N 1.33 -0.273 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.2 152.84 63.23 Favored 'Trans proline' 0 C--N 1.315 -1.234 0 C-N-CA 121.446 1.431 . . . . 0.0 111.618 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -47.22 -60.97 0.68 Allowed 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.451 2.101 . . . . 0.0 111.832 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -47.04 -23.28 0.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.603 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -101.03 30.95 3.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.673 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 85.8 mt-30 -134.42 142.03 47.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.605 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.656 ' NH1' HH21 ' A' ' 24' ' ' ARG . 17.1 ttm180 -151.69 114.5 4.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.295 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.7 mt -92.2 132.98 36.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.043 0.449 . . . . 0.0 110.95 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.9 mt -128.98 142.7 43.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.297 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . 0.427 ' O ' ' HB3' ' B' ' 146' ' ' ALA . 59.5 t80 -144.8 102.58 3.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.622 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' B' ' 145' ' ' PHE . . . 66.48 69.12 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.773 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . 0.432 ' H ' ' HB3' ' A' ' 31' ' ' CYS . . . 42.35 45.21 5.26 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -149.69 116.84 6.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.594 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . 0.519 ' NE2' ' O ' ' B' ' 150' ' ' LEU . 19.0 tm0? -78.76 126.46 30.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.175 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.519 ' O ' ' NE2' ' B' ' 149' ' ' GLN . 10.2 mt -79.13 117.3 20.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 0.0 110.692 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -53.36 156.01 2.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.546 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.18 -13.85 42.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -110.9 36.97 3.94 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -139.42 171.65 13.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.767 0.318 . . . . 0.0 110.37 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . 0.491 ' N ' ' OD2' ' B' ' 158' ' ' ASP . 7.3 p -107.48 159.59 16.29 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.681 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' B' ' 159' ' ' TYR . 48.2 mt -52.61 -47.46 66.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.589 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . 0.474 ' C ' ' H ' ' B' ' 159' ' ' TYR . 22.8 p -45.05 -31.72 1.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . 0.491 ' OD2' ' N ' ' B' ' 155' ' ' THR . 11.7 m-20 -66.96 6.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.7 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . 0.474 ' H ' ' C ' ' B' ' 157' ' ' SER . 78.4 m-85 -140.64 20.37 2.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.517 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 41.14 40.23 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 84.6 mt -82.73 105.0 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.305 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -81.53 -162.56 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.723 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -80.58 161.62 24.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.648 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 56.0 33.34 21.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.748 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 39.9 m -87.89 127.56 35.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.551 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 8.6 m -91.59 100.48 13.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.524 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.6 mt -82.09 164.01 21.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.455 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 168' ' ' HIS . . . . . 0.638 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.2 OUTLIER -115.72 100.66 8.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.282 179.802 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 66.5 tp -80.66 145.34 31.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.717 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . 0.406 HG22 HD13 ' A' ' 36' ' ' LEU . 2.2 t -147.05 138.04 17.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.266 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.646 HD12 ' N ' ' B' ' 171' ' ' LEU . 8.2 mp -82.24 110.1 17.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.503 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . 0.59 ' HE ' ' H ' ' B' ' 175' ' ' GLY . 49.5 ttt180 -62.72 112.71 2.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.302 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 43' ' ' PHE . 10.2 mt -81.54 72.87 8.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.605 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 45.71 94.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.658 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 175' ' ' GLY . . . . . 0.59 ' H ' ' HE ' ' B' ' 172' ' ' ARG . . . -87.26 -158.22 32.25 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.649 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 201' ' ' MET . . . . . 0.534 ' N ' ' O ' ' C' ' 217' ' ' VAL . 33.1 ttp . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -89.97 115.18 27.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.728 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 11.7 pt -110.15 144.6 17.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.422 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -95.13 140.94 29.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.728 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 49.4 t -129.73 110.78 20.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.469 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -93.0 133.22 36.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.611 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 46.6 p -91.67 -163.45 1.04 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.359 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 208' ' ' LEU . . . . . 0.883 HD12 ' N ' ' C' ' 208' ' ' LEU . 1.6 mp -100.94 24.7 8.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.491 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 1.7 p -136.61 -0.82 2.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.533 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 94.36 27.96 11.22 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -103.19 110.84 22.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.324 . . . . 0.0 110.5 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 54.9 m -103.07 105.17 15.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.611 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 213' ' ' ILE . . . . . 0.446 HG22 ' H ' ' C' ' 214' ' ' THR . 0.6 OUTLIER -88.31 -179.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.152 179.794 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 214' ' ' THR . . . . . 0.446 ' H ' HG22 ' C' ' 213' ' ' ILE . 98.0 m -142.18 96.12 2.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.067 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 215' ' ' LEU . . . . . 0.734 HD22 ' N ' ' C' ' 215' ' ' LEU . 2.9 mm? -92.71 128.73 38.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.96 0.409 . . . . 0.0 110.967 -179.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -87.07 121.32 29.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.011 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 217' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' C' ' 201' ' ' MET . 33.7 m -149.64 -165.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 0.0 110.96 -179.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 218' ' ' GLU . . . . . 0.584 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 2.0 mt-10 -141.08 148.76 53.16 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.719 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.02 -27.13 4.03 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.412 2.075 . . . . 0.0 112.471 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.18 13.59 12.88 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 121.009 -0.277 . . . . 0.0 111.024 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 221' ' ' ASP . . . . . 0.584 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 1.2 m-20 -86.14 135.76 33.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.44 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 222' ' ' THR . . . . . 0.527 ' OG1' ' ND2' ' C' ' 225' ' ' ASN . 7.2 p -83.71 133.57 34.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.721 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 28.5 mm -40.55 -42.47 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.455 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -56.21 -45.12 80.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.407 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 225' ' ' ASN . . . . . 0.604 HD22 ' N ' ' C' ' 225' ' ' ASN . 0.8 OUTLIER -60.72 -39.97 90.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.07 179.609 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 11.9 t -60.86 -44.55 97.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.074 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 227' ' ' LYS . . . . . 0.437 ' O ' ' OE1' ' C' ' 241' ' ' GLN . 74.1 mttt -56.74 -43.4 80.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.117 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -58.54 -44.17 89.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.232 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -58.96 -44.61 91.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.373 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 20.9 mt -61.49 -34.11 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.22 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -65.61 -35.56 81.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.218 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -72.34 -25.61 61.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.559 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 44.8 mmtt -83.6 -65.79 0.97 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.505 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -81.76 -88.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.501 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 159.98 8.64 0.05 OUTLIER Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 236' ' ' ILE . . . . . 0.52 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 49.2 mt -77.05 130.4 75.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -54.61 146.1 55.69 Favored 'Trans proline' 0 C--N 1.315 -1.225 0 C-N-CA 121.673 1.582 . . . . 0.0 111.632 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -51.96 -34.79 57.96 Favored 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 122.134 1.889 . . . . 0.0 111.75 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 239' ' ' ASP . . . . . 0.515 ' OD1' ' NH2' ' C' ' 272' ' ' ARG . 32.2 t70 -67.08 -44.74 79.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.656 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -82.1 39.81 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.686 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 241' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 78.7 mt-30 -134.49 73.7 1.5 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.749 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 242' ' ' ARG . . . . . 0.499 ' NE ' ' OE1' ' C' ' 249' ' ' GLN . 20.5 ttm180 -89.99 119.17 30.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.177 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 15.8 mt -96.93 132.99 42.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.016 0.436 . . . . 0.0 110.895 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.6 mt -128.2 123.07 59.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.11 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 245' ' ' PHE . . . . . 0.534 ' O ' ' HB3' ' C' ' 246' ' ' ALA . 57.5 t80 -114.54 76.52 1.0 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.942 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 246' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' C' ' 245' ' ' PHE . . . 71.78 89.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.685 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 247' ' ' GLY . . . . . 0.503 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 39.41 27.19 0.08 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 248' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' C' ' 246' ' ' ALA . 16.2 mmtm -131.82 97.5 4.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.83 0.348 . . . . 0.0 110.505 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 249' ' ' GLN . . . . . 0.499 ' OE1' ' NE ' ' C' ' 242' ' ' ARG . 9.3 tt0 -73.13 125.95 28.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.27 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 11.4 mt -80.83 131.65 35.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.729 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -79.31 159.93 27.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.439 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.94 -20.61 38.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.743 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -102.47 38.35 3.24 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -139.14 174.18 10.78 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 33.0 p -115.65 164.77 13.85 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.911 0.386 . . . . 0.0 110.812 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 256' ' ' LEU . . . . . 0.448 ' CD1' HG21 ' C' ' 217' ' ' VAL . 79.8 mt -60.59 -39.05 86.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.684 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 257' ' ' SER . . . . . . . . . . . . . 5.0 t -58.15 -44.02 87.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.728 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -47.71 -38.4 15.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.659 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -93.59 23.47 4.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.757 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 30.9 t30 46.64 26.05 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 84.2 mt -73.6 102.9 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.349 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -85.15 -157.04 0.28 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -82.86 161.81 21.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.783 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 50.23 32.52 6.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.547 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 38.7 m -91.89 131.47 37.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.614 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 25.7 m -77.83 147.65 35.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.289 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 9.9 mt -139.23 123.31 17.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.652 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 268' ' ' HIS . . . . . 0.64 ' ND1' ' N ' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -78.84 105.57 10.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.235 179.816 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 269' ' ' LEU . . . . . 0.489 ' O ' HD11 ' C' ' 208' ' ' LEU . 61.2 tp -83.11 144.53 29.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.889 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 270' ' ' VAL . . . . . 0.508 HG22 HD13 ' D' ' 336' ' ' LEU . 2.1 t -144.36 156.09 15.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.248 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 271' ' ' LEU . . . . . 0.672 ' N ' HD12 ' C' ' 271' ' ' LEU . 7.1 mp -99.1 92.72 5.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.328 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 272' ' ' ARG . . . . . 0.515 ' NH2' ' OD1' ' C' ' 239' ' ' ASP . 29.1 ttp180 -46.19 112.09 0.44 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.637 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 273' ' ' LEU . . . . . 0.455 HD13 ' CD1' ' D' ' 343' ' ' PHE . 33.8 mt -82.39 137.23 34.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.498 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 75.4 mtt85 -66.8 -171.5 0.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.545 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . 161.76 56.98 0.02 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 89.4 m . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.575 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.697 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 11.6 t -155.41 -158.09 0.8 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.904 0.383 . . . . 0.0 110.471 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 311' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -163.79 115.7 1.4 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.592 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 312' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -68.69 -174.02 0.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.594 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -91.38 133.3 35.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.507 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -81.3 92.96 6.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.591 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 11.1 mt -95.2 44.38 1.09 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.544 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 59.8 p -83.23 3.49 30.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.694 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -146.17 72.86 1.31 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.603 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -130.18 167.02 19.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.406 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -114.73 165.55 12.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.732 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 320' ' ' TYR . . . . . 0.406 ' OH ' ' NH1' ' D' ' 324' ' ' ARG . 13.2 t80 -61.46 -48.91 78.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.506 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 321' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' D' ' 325' ' ' ASP . . . -61.9 -43.91 97.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.761 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 322' ' ' GLU . . . . . 0.4 ' O ' ' OG1' ' D' ' 326' ' ' THR . 94.1 mt-10 -57.34 -54.92 41.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.718 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.546 HD21 ' CD ' ' D' ' 342' ' ' GLU . 14.5 mt -57.33 -59.41 5.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.773 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 324' ' ' ARG . . . . . 0.473 ' O ' ' ND2' ' D' ' 328' ' ' ASN . 8.7 tpt180 -55.43 -50.1 70.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.7 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 325' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' D' ' 329' ' ' THR . 19.6 t70 -58.42 -48.54 80.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.73 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 326' ' ' THR . . . . . 0.501 ' O ' ' N ' ' D' ' 330' ' ' SER . 64.7 m -55.4 -42.45 74.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.574 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 82.5 mt -72.41 -35.66 52.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.422 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 328' ' ' ASN . . . . . 0.66 HD22 ' N ' ' D' ' 328' ' ' ASN . 0.8 OUTLIER -81.69 -20.55 39.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.939 -179.688 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.501 ' N ' ' O ' ' D' ' 325' ' ' ASP . 72.7 p -105.63 -51.03 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.848 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 330' ' ' SER . . . . . 0.501 ' N ' ' O ' ' D' ' 326' ' ' THR . 1.0 OUTLIER -72.6 -179.52 3.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.012 0.434 . . . . 0.0 110.939 -179.572 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 331' ' ' CYS . . . . . 0.503 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 9.1 p -149.96 12.65 0.77 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.199 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -73.4 93.73 1.98 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.623 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . 0.693 ' HA ' HD12 ' D' ' 336' ' ' LEU . 2.9 mt -38.96 -40.1 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.731 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -57.42 -55.96 28.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.268 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 335' ' ' LEU . . . . . 0.483 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 10.1 mt -60.81 -37.79 83.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.145 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 336' ' ' LEU . . . . . 0.693 HD12 ' HA ' ' D' ' 333' ' ' ILE . 92.5 mt -56.65 -43.27 80.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.167 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -68.29 -49.03 63.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.435 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.98 96.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.458 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 339' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 72.2 m -59.48 -53.34 59.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.225 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 14.0 mtp85 -56.07 -39.18 71.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.366 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -58.93 -52.95 63.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.664 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 342' ' ' GLU . . . . . 0.546 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.6 pt-20 -71.2 -36.41 71.91 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.505 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 343' ' ' PHE . . . . . 0.455 ' CD1' HD13 ' C' ' 273' ' ' LEU . 8.4 t80 -59.31 -35.41 73.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.351 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 344' ' ' HIS . . . . . 0.422 ' O ' ' N ' ' D' ' 347' ' ' LEU . 34.3 m170 -79.38 -52.77 7.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.241 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.08 -42.37 13.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.044 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 9.0 mtp85 -59.29 -32.67 70.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.368 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' D' ' 344' ' ' HIS . 92.4 mt -80.61 -35.49 33.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.528 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -62.02 -50.22 72.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.627 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 349' ' ' VAL . . . . . 0.502 HG13 ' O ' ' D' ' 349' ' ' VAL . 10.0 p -84.06 125.86 40.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.517 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 350' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -172.95 100.79 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 351' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.564 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.619 ' O ' HG23 ' A' ' 10' ' ' THR . 5.3 t -65.81 93.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 0.0 110.611 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -96.01 113.97 25.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.516 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -128.97 -156.82 0.78 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.431 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -137.36 135.89 37.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.448 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -79.23 92.79 5.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.619 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -102.67 38.35 1.73 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.413 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.8 t -78.15 11.18 2.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.709 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.7 pttt -161.23 81.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 0.0 110.758 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -133.49 163.69 28.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.142 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -105.05 157.75 17.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.609 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 29.3 t80 -59.68 -47.53 85.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.51 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.78 -41.72 98.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.544 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -60.01 -55.67 31.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.519 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.536 HD21 ' CD ' ' A' ' 42' ' ' GLU . 14.8 mt -54.38 -59.66 4.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.324 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.698 ' NH1' HD21 ' A' ' 28' ' ' ASN . 9.1 tpt85 -54.55 -52.68 61.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.322 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' THR . 5.9 t70 -52.38 -51.57 58.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.32 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.545 ' O ' ' N ' ' A' ' 30' ' ' SER . 74.6 m -52.1 -45.09 64.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.346 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.5 mt -70.32 -22.76 24.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.413 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.708 HD22 ' N ' ' A' ' 28' ' ' ASN . 0.7 OUTLIER -99.29 -2.73 35.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.837 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 25' ' ' ASP . 21.4 p -133.59 -4.94 2.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.988 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.545 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.6 t -122.73 145.97 47.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.941 0.4 . . . . 0.0 110.831 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.597 ' SG ' ' CG ' ' B' ' 168' ' ' HIS . 14.5 t -120.66 30.08 7.1 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.351 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.5 94.37 9.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.355 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.438 ' HA ' HD12 ' A' ' 36' ' ' LEU . 2.4 mt -39.79 -41.17 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.863 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -57.22 -59.15 5.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.454 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.84 -46.7 84.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.976 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.45 HD13 ' CG2' ' B' ' 170' ' ' VAL . 93.8 mt -50.73 -42.8 57.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.329 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.48 -48.98 70.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.338 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.51 -46.41 90.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.379 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.9 m -59.81 -53.56 56.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.239 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.2 mtp85 -52.58 -41.43 63.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.311 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -59.73 -62.82 1.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.633 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.536 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.6 pt-20 -59.86 -37.99 80.86 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.694 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.553 ' CD1' HD13 ' B' ' 173' ' ' LEU . 24.2 t80 -54.85 -51.9 64.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.714 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' A' ' 47' ' ' LEU . 11.5 m-70 -64.97 -47.58 77.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.456 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -45.64 -47.48 14.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.079 0.466 . . . . 0.0 109.836 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -55.82 -34.93 65.81 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.424 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 44' ' ' HIS . 6.7 mp -76.85 -28.3 55.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.178 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.9 tttp -72.79 -66.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.628 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.577 HG22 ' N ' ' A' ' 50' ' ' TYR . 10.5 p -88.48 166.16 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.409 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.577 ' N ' HG22 ' A' ' 49' ' ' VAL . 6.9 p90 -151.18 74.48 1.15 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.533 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.617 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.541 ' N ' ' O ' ' B' ' 117' ' ' VAL . 32.0 ttp . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . 0.481 ' NE2' HG22 ' B' ' 114' ' ' THR . 4.7 tp60 -111.97 144.44 41.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.439 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 18.5 pt -146.98 145.86 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.716 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -99.67 153.28 19.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.614 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 16.7 t -136.15 107.01 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.37 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -95.25 133.93 38.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.537 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 34.6 p -96.11 -172.84 2.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.44 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.926 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.5 OUTLIER -84.05 23.27 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.396 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 15.4 p -136.54 8.09 3.08 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.527 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.96 7.36 88.01 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -79.36 114.9 18.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.75 0.31 . . . . 0.0 110.504 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 21.7 m -99.64 144.56 28.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.59 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 1.2 mt -133.59 125.59 50.18 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.449 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . 0.481 HG22 ' NE2' ' B' ' 102' ' ' GLN . 8.3 m -92.53 99.66 12.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.57 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.514 HD12 ' N ' ' B' ' 115' ' ' LEU . 10.8 mp -99.31 145.91 26.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.619 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -102.39 122.47 44.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.169 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . 0.541 ' O ' ' N ' ' B' ' 101' ' ' MET . 14.3 m -147.49 -165.87 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.938 0.399 . . . . 0.0 110.828 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -144.29 149.18 43.87 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.027 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -47.25 -15.79 0.3 Allowed 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.579 2.186 . . . . 0.0 112.642 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.4 p -100.25 13.79 33.11 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 121.064 -0.255 . . . . 0.0 111.205 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -86.65 136.43 33.04 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.424 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . 0.494 ' O ' ' N ' ' B' ' 125' ' ' ASN . 19.7 p -82.71 130.87 35.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.64 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 31.5 mm -40.68 -45.0 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.452 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -55.69 -39.29 70.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.113 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.55 HD22 ' C ' ' B' ' 125' ' ' ASN . 0.1 OUTLIER -63.74 -38.58 91.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.097 179.487 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 27.0 t -64.18 -45.59 95.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.119 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . 0.662 ' HZ1' ' H ' ' B' ' 143' ' ' LEU . 42.2 mttm -56.45 -38.23 71.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.101 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.76 94.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.255 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -60.09 -45.25 93.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.419 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 66.2 mt -62.5 -46.37 96.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.327 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . 0.431 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.5 OUTLIER -55.18 -30.26 59.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.335 179.833 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -78.56 -24.25 45.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.506 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -82.58 -60.4 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.556 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -86.55 -107.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.538 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -171.39 11.91 0.04 OUTLIER Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 27.3 mt -85.79 115.25 60.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.15 154.57 56.63 Favored 'Trans proline' 0 C--N 1.314 -1.242 0 C-N-CA 121.485 1.457 . . . . 0.0 111.63 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -46.71 -64.13 0.27 Allowed 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.454 2.102 . . . . 0.0 111.864 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . 0.406 ' O ' ' OD1' ' B' ' 139' ' ' ASP . 11.0 t0 -44.57 -21.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.691 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.439 ' N ' ' C ' ' B' ' 138' ' ' PRO . 75.9 mt-30 -104.37 33.71 3.4 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.611 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' B' ' 138' ' ' PRO . 70.7 mt-30 -134.34 158.94 42.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.474 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.676 HH12 ' ND2' ' A' ' 28' ' ' ASN . 20.4 ttt180 -170.26 108.32 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.231 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.662 ' H ' ' HZ1' ' B' ' 127' ' ' LYS . 15.2 mt -89.96 130.77 36.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.116 0.484 . . . . 0.0 111.035 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . 0.519 HG22 ' SG ' ' A' ' 31' ' ' CYS . 1.7 mt -125.82 141.93 44.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.149 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . 0.488 ' O ' ' HB3' ' B' ' 146' ' ' ALA . 27.1 t80 -149.35 105.2 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.779 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' B' ' 145' ' ' PHE . . . 69.7 68.97 0.24 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.688 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 39.92 32.36 0.35 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -136.8 118.08 14.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.773 0.321 . . . . 0.0 110.668 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . 0.613 HE22 ' NH2' ' B' ' 142' ' ' ARG . 8.4 tt0 -79.61 127.89 32.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.07 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 12.9 mt -78.19 114.95 17.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.362 . . . . 0.0 110.768 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -57.51 160.77 3.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.697 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -85.75 -29.56 23.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.709 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -95.13 38.17 3.2 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 14.0 mmt85 -139.48 174.3 10.66 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 28.5 p -111.65 172.4 6.92 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.873 0.368 . . . . 0.0 110.793 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . 0.401 ' CD1' HG21 ' B' ' 117' ' ' VAL . 86.5 mt -65.6 -46.84 77.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.609 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . 0.472 ' C ' ' H ' ' B' ' 159' ' ' TYR . 13.0 p -52.94 -32.25 44.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -68.98 10.94 0.23 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.761 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . 0.472 ' H ' ' C ' ' B' ' 157' ' ' SER . 62.0 m-85 -140.67 15.61 2.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.642 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . 0.421 HD22 ' N ' ' B' ' 160' ' ' ASN . 1.6 m-80 53.46 27.49 6.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.702 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 93.0 mt -79.17 96.06 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.43 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -79.95 -157.39 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.652 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 6.7 ptp85 -82.26 160.29 22.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.713 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 55.46 28.37 11.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.645 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 39.6 m -82.67 130.07 35.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.589 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 9.9 m -84.85 114.95 22.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.493 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 11.7 mt -102.34 128.67 48.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.944 0.402 . . . . 0.0 110.699 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 168' ' ' HIS . . . . . 0.656 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.2 OUTLIER -86.89 103.44 15.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.129 179.708 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 54.9 tp -83.01 136.45 34.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.899 0.38 . . . . 0.0 110.855 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . 0.45 ' CG2' HD13 ' A' ' 36' ' ' LEU . 2.3 t -139.93 139.57 37.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.326 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.63 HD12 ' N ' ' B' ' 171' ' ' LEU . 8.4 mp -79.08 109.76 13.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.636 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -60.54 110.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.556 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . 0.553 HD13 ' CD1' ' A' ' 43' ' ' PHE . 13.2 mt -87.82 47.14 1.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.502 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' B' ' 173' ' ' LEU . 94.6 mtt180 56.51 158.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.543 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . -178.06 -128.38 1.16 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 201' ' ' MET . . . . . . . . . . . . . 1.3 ptt? . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -92.84 110.21 21.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.574 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 26.3 pt -102.2 154.56 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.651 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -100.46 149.96 23.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.598 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 68.8 t -136.94 106.84 5.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.263 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -91.48 135.18 34.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.605 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 32.8 p -102.48 175.82 5.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.446 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 208' ' ' LEU . . . . . 0.984 ' H ' HD22 ' C' ' 208' ' ' LEU . 0.0 OUTLIER -46.55 -55.41 7.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.236 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 6.4 p -62.0 -8.24 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.585 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 89.18 13.37 62.05 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -70.29 117.65 12.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 110.541 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 10.3 m -90.08 138.97 31.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.652 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 1.8 mt -132.88 125.18 51.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.5 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 20.5 m -89.69 130.89 35.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.284 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 32.8 mt -130.22 123.35 29.97 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.844 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -80.81 79.54 7.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.273 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 217' ' ' VAL . . . . . . . . . . . . . 15.5 m -104.4 176.43 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.965 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 218' ' ' GLU . . . . . 0.549 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 3.3 mm-40 -120.62 176.6 1.77 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.614 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -75.11 -32.89 4.89 Favored 'Trans proline' 0 C--N 1.311 -1.431 0 C-N-CA 122.376 2.05 . . . . 0.0 112.015 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 2.1 p -80.43 -8.37 59.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.517 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 221' ' ' ASP . . . . . 0.549 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 19.6 m-20 -60.72 133.71 56.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.426 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 18.2 p -86.58 140.87 29.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.732 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 21.7 mm -44.48 -51.91 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.466 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -50.08 -38.65 39.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.279 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 225' ' ' ASN . . . . . 0.522 HD22 ' C ' ' C' ' 225' ' ' ASN . 0.2 OUTLIER -61.93 -48.21 81.46 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.435 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 42.8 t -55.18 -46.93 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -53.86 -34.51 59.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.79 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 228' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' C' ' 225' ' ' ASN . . . -64.9 -44.3 90.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.97 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -59.03 -39.78 83.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.076 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 18.2 mt -69.49 -25.4 28.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.103 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -71.6 -33.82 69.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.208 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -76.65 -33.42 58.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.468 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 20.7 mmtm -76.25 -60.9 2.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.456 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -83.85 -90.25 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.513 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 158.54 10.18 0.05 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 236' ' ' ILE . . . . . 0.525 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 30.1 mt -80.33 130.6 64.88 Favored Pre-proline 0 C--N 1.33 -0.263 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -55.38 144.79 70.87 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 121.707 1.605 . . . . 0.0 111.555 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -52.61 -31.66 50.7 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 122.075 1.85 . . . . 0.0 111.775 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 239' ' ' ASP . . . . . 0.462 ' C ' ' H ' ' C' ' 241' ' ' GLN . 16.8 t0 -70.78 -53.79 14.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.664 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -71.76 41.63 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.747 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 241' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 60.5 mt-30 -134.51 162.6 31.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 242' ' ' ARG . . . . . . . . . . . . . 29.5 ttm-85 -170.34 144.59 2.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.164 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 15.3 mt -127.08 138.19 53.16 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.165 0.507 . . . . 0.0 111.066 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 2.1 mt -129.76 121.12 51.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.96 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 245' ' ' PHE . . . . . 0.434 ' CE1' ' OD2' ' A' ' 25' ' ' ASP . 70.4 t80 -108.84 72.04 0.8 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.876 0.37 . . . . 0.0 111.064 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 62.07 87.07 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.004 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 247' ' ' GLY . . . . . 0.715 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 54.92 24.48 34.43 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 23.3 mmtm -129.78 89.71 2.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.69 0.281 . . . . 0.0 110.57 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -71.88 113.6 9.09 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 9.7 mt -76.81 131.14 38.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.944 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -86.78 158.46 19.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.428 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.87 -0.92 29.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.939 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -123.03 40.33 2.03 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 36.9 mmt-85 -139.52 178.31 7.3 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 26.5 p -120.92 157.76 29.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.585 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.47 -12.29 14.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.633 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 257' ' ' SER . . . . . . . . . . . . . 33.0 t -85.04 -40.92 16.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.406 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -49.56 -41.94 42.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.496 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -85.9 -2.47 58.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.604 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 2.0 m120 64.79 38.77 6.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 87.5 mt -81.12 111.34 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.338 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -83.04 -160.7 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -85.68 160.66 19.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.951 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 54.97 26.71 8.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.865 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 1.8 m -83.52 137.8 33.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.39 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 4.3 m -84.48 116.74 23.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.652 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 4.7 mp -108.99 124.53 50.85 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.366 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 268' ' ' HIS . . . . . 0.623 ' ND1' ' N ' ' C' ' 268' ' ' HIS . 0.1 OUTLIER -84.04 113.28 20.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.344 179.816 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 11.5 tp -84.09 142.15 30.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.873 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 1.9 t -147.0 137.28 17.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.13 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 271' ' ' LEU . . . . . 0.942 HD22 ' H ' ' C' ' 271' ' ' LEU . 0.3 OUTLIER -92.69 109.25 20.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.703 -179.669 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -63.3 113.77 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.555 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 273' ' ' LEU . . . . . 0.523 ' O ' ' NH1' ' D' ' 324' ' ' ARG . 13.4 mt -80.32 126.81 31.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.544 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -97.09 -163.71 1.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.457 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . -160.43 170.6 36.46 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 12.3 m . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.083 -0.96 . . . . 0.0 110.578 -179.957 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.65 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 310' ' ' THR . . . . . 0.407 ' O ' ' C ' ' D' ' 311' ' ' LYS . 51.7 m -155.21 96.47 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.722 0.296 . . . . 0.0 110.476 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 311' ' ' LYS . . . . . 0.446 ' O ' ' O ' ' D' ' 312' ' ' LYS . 76.5 mttt 38.25 79.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.676 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 312' ' ' LYS . . . . . 0.446 ' O ' ' O ' ' D' ' 311' ' ' LYS . 16.4 mmtp 45.08 -173.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.515 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -93.42 130.87 39.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.591 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -79.21 92.79 5.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.511 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 14.0 mt -90.64 40.44 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.617 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 25.0 t -90.75 17.02 8.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.666 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -147.87 43.01 1.06 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.59 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 17.5 m95 -112.13 179.07 4.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.604 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -132.42 168.37 18.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.503 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 320' ' ' TYR . . . . . 0.424 ' CD1' ' C ' ' D' ' 320' ' ' TYR . 15.2 t80 -59.17 -47.3 85.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.576 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -58.31 -52.03 67.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.834 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -56.33 -56.26 23.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.851 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.551 HD21 ' CD ' ' D' ' 342' ' ' GLU . 14.0 mt -56.79 -56.13 25.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.7 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 324' ' ' ARG . . . . . 0.523 ' NH1' ' O ' ' C' ' 273' ' ' LEU . 6.1 tpt180 -53.04 -46.24 68.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.566 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 325' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' D' ' 329' ' ' THR . 15.7 m-20 -62.6 -48.11 80.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.483 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 326' ' ' THR . . . . . 0.512 ' O ' ' N ' ' D' ' 330' ' ' SER . 6.5 m -53.07 -45.84 68.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.756 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 91.3 mt -75.57 -24.78 17.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 328' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' D' ' 324' ' ' ARG . 2.0 m-80 -95.9 -0.79 50.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.06 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.467 ' N ' ' O ' ' D' ' 325' ' ' ASP . 57.8 p -136.72 -41.79 0.61 Allowed 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 121.048 -0.261 . . . . 0.0 111.349 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 330' ' ' SER . . . . . 0.512 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.5 OUTLIER -76.32 168.58 19.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.177 0.513 . . . . 0.0 111.408 -179.2 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 331' ' ' CYS . . . . . 0.715 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 27.8 p -146.77 88.44 1.76 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.431 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -161.61 100.92 1.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.377 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . 0.402 HD13 HG21 ' D' ' 333' ' ' ILE . 1.9 mt -38.8 -43.63 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.817 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -55.78 -58.97 5.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.442 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 335' ' ' LEU . . . . . 0.484 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 9.7 mt -60.5 -52.65 64.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.158 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 28.3 mt -50.59 -46.65 58.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.536 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.35 78.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.467 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.22 -42.23 96.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.341 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 339' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 69.8 m -58.34 -50.74 72.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.289 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 340' ' ' ARG . . . . . 0.518 ' HE ' HD21 ' C' ' 273' ' ' LEU . 19.0 mtp-105 -61.8 -38.87 89.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.526 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -56.65 -57.41 12.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.684 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 342' ' ' GLU . . . . . 0.551 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.7 pt-20 -63.42 -33.08 74.78 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.618 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -63.21 -40.01 96.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.246 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 344' ' ' HIS . . . . . 0.405 ' CE1' ' NH2' ' D' ' 340' ' ' ARG . 13.4 m170 -70.78 -50.33 36.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.199 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 345' ' ' ARG . . . . . 0.434 ' O ' HG12 ' D' ' 349' ' ' VAL . 79.8 mtm180 -51.09 -47.65 61.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.429 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 69.1 mtt-85 -54.15 -39.96 67.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 15.3 mt -67.69 -58.88 3.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.602 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -44.98 -46.81 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.581 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 349' ' ' VAL . . . . . 0.496 HG13 ' O ' ' D' ' 349' ' ' VAL . 9.7 p -86.24 127.55 40.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.558 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 350' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -172.63 43.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.571 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 351' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.561 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.631 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.95 119.09 3.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 110.566 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -97.59 -166.54 1.4 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.475 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt -86.44 177.46 7.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.555 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -91.36 133.66 35.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.547 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -79.75 92.71 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.413 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.3 mt -107.6 45.28 1.01 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.529 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.0 t -84.6 3.51 36.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.62 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -147.46 71.49 1.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.67 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -129.12 165.47 21.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.412 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.87 169.21 9.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.586 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.522 ' OH ' ' NH1' ' A' ' 24' ' ' ARG . 37.5 t80 -65.65 -47.09 76.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.487 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.86 -35.92 79.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.739 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -68.01 -54.96 14.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.697 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.591 HD21 ' CD ' ' A' ' 42' ' ' GLU . 16.2 mt -56.25 -58.39 8.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.613 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.522 ' NH1' ' OH ' ' A' ' 20' ' ' TYR . 6.8 tpt180 -53.22 -53.37 51.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.486 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.472 ' OD1' ' CZ ' ' C' ' 245' ' ' PHE . 46.4 t0 -53.41 -50.77 64.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.47 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.573 ' O ' ' N ' ' A' ' 30' ' ' SER . 86.8 m -52.14 -50.1 62.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.594 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.422 HG23 HD22 ' A' ' 36' ' ' LEU . 96.5 mt -66.75 -23.89 31.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.605 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.51 ' OD1' ' NH1' ' B' ' 142' ' ' ARG . 1.9 m-80 -95.15 -6.53 41.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.062 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 19.6 p -130.12 -5.96 4.4 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.189 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.573 ' N ' ' O ' ' A' ' 26' ' ' THR . 6.3 t -111.3 156.92 20.8 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.002 0.43 . . . . 0.0 111.06 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.42 ' SG ' ' C ' ' B' ' 147' ' ' GLY . 36.5 m -132.67 33.89 3.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.392 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -103.83 100.56 10.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.669 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.406 HG21 HD13 ' A' ' 33' ' ' ILE . 6.4 mt -43.7 -35.53 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.55 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -61.52 -58.99 5.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.279 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.488 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 11.4 mt -56.77 -44.32 81.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.928 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.422 HD22 HG23 ' A' ' 27' ' ' ILE . 96.2 mt -54.46 -42.67 70.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.469 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.27 -49.11 70.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.567 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.49 92.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.43 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.488 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 78.3 m -57.19 -53.61 56.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.219 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.504 HH21 HD22 ' B' ' 171' ' ' LEU . 16.1 mtp-105 -54.56 -45.45 73.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.316 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -53.22 -62.69 1.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.745 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.591 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.8 pt-20 -61.07 -42.05 97.78 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.506 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.533 ' CG ' HD13 ' B' ' 173' ' ' LEU . 16.4 t80 -52.57 -43.0 64.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.915 0.388 . . . . 0.0 110.145 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -68.84 -45.25 71.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.313 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 49' ' ' VAL . 29.2 mtt85 -49.52 -52.74 27.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.369 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' A' ' 50' ' ' TYR . 1.8 mpt_? -45.94 -34.11 3.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.241 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.1 mt -85.88 -60.29 2.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.474 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -46.61 -46.14 19.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.59 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.531 HG22 ' N ' ' A' ' 50' ' ' TYR . 7.6 p -144.09 160.06 15.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.614 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.531 ' N ' HG22 ' A' ' 49' ' ' VAL . 47.7 t80 55.45 107.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.564 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.465 ' ND1' ' OXT' ' A' ' 51' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.595 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -96.36 120.0 35.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.65 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 17.5 pt -109.33 147.54 13.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.641 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -99.71 141.75 32.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.647 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 94.7 t -127.49 113.73 33.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.412 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -92.74 136.83 32.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.769 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 38.1 p -90.83 -150.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.374 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.907 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.4 OUTLIER -87.2 -52.91 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.495 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . 0.42 ' H ' HG23 ' B' ' 109' ' ' THR . 19.3 p -56.26 -47.56 78.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.507 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 142.66 5.69 0.77 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -72.29 133.94 45.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.678 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.9 m -108.36 145.78 33.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.464 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 3.8 mt -130.65 128.6 63.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.642 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 21.9 m -97.55 115.18 27.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.301 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 33.1 mt -121.29 134.93 55.17 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.873 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -80.81 127.44 32.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.142 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 15.7 m -147.7 179.77 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.371 . . . . 0.0 110.918 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.532 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 36.0 mt-10 -135.97 148.85 66.61 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.211 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -48.56 -7.01 0.05 OUTLIER 'Trans proline' 0 C--N 1.31 -1.476 0 C-N-CA 122.626 2.218 . . . . 0.0 112.521 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . 0.489 ' H ' ' C ' ' B' ' 118' ' ' GLU . 2.6 p -102.48 -19.49 14.89 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.992 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . 0.532 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 9.2 m-20 -53.58 138.48 34.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.981 0.419 . . . . 0.0 110.74 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . 0.446 ' O ' ' N ' ' B' ' 125' ' ' ASN . 17.8 p -90.4 134.02 34.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.538 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 27.3 mm -40.96 -45.34 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.549 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -55.46 -41.95 73.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.232 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.712 HD22 ' NZ ' ' B' ' 129' ' ' LYS . 19.1 t30 -61.37 -37.49 83.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.159 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 27.2 t -64.56 -52.44 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.99 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -49.75 -38.62 34.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.085 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.29 -45.25 88.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.218 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.712 ' NZ ' HD22 ' B' ' 125' ' ' ASN . 42.9 mttp -55.92 -41.19 74.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.141 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 6.1 mt -66.75 -37.53 79.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.245 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -62.01 -25.31 67.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.344 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -84.52 -31.72 24.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.687 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -78.76 -65.39 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.628 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -80.47 -105.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.671 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -176.52 16.44 0.04 OUTLIER Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.517 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 23.5 mt -93.49 112.0 54.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -63.46 154.56 67.8 Favored 'Trans proline' 0 C--N 1.313 -1.293 0 C-N-CA 121.59 1.527 . . . . 0.0 111.794 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.53 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -46.84 -66.05 0.16 Allowed 'Trans proline' 0 C--N 1.31 -1.499 0 C-N-CA 122.593 2.195 . . . . 0.0 112.016 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -42.55 -20.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.696 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' B' ' 138' ' ' PRO . 27.6 mt-30 -110.88 35.33 3.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.542 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' B' ' 138' ' ' PRO . 54.2 mt-30 -134.34 168.03 19.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.501 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.695 HH21 ' NE2' ' B' ' 149' ' ' GLN . 16.2 ttt85 -170.21 130.18 0.93 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.179 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 16.3 mt -112.39 133.54 54.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.046 0.451 . . . . 0.0 110.954 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.6 mt -127.16 134.18 66.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.238 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . 0.495 ' O ' ' HB3' ' B' ' 146' ' ' ALA . 86.1 t80 -158.52 144.96 17.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.503 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' B' ' 145' ' ' PHE . . . 69.6 19.31 7.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . 0.42 ' C ' ' SG ' ' A' ' 31' ' ' CYS . . . 76.66 21.41 74.8 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -145.13 152.09 39.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.748 0.309 . . . . 0.0 110.753 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . 0.695 ' NE2' HH21 ' B' ' 142' ' ' ARG . 23.3 tt0 -80.07 142.74 34.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.328 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 15.8 mt -91.42 141.69 28.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.831 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -79.1 160.9 26.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.44 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.85 -24.39 26.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -102.91 41.74 2.06 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -139.72 168.71 19.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.732 0.301 . . . . 0.0 110.355 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 6.2 p -108.79 161.84 14.74 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.723 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 57.0 mt -59.32 -31.84 69.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . 0.488 ' C ' ' H ' ' B' ' 159' ' ' TYR . 6.9 t -65.76 -32.23 73.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.991 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -70.62 14.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.858 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . 0.488 ' H ' ' C ' ' B' ' 157' ' ' SER . 60.6 m-85 -140.65 7.66 2.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.603 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 59.61 27.35 16.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.566 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 95.8 mt -77.23 107.49 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.509 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -86.45 -169.71 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.616 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -73.44 160.36 31.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.804 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 56.66 29.24 15.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.696 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 33.0 m -81.9 129.22 34.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.432 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 3.9 m -91.99 106.58 18.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.68 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 2.1 mp -98.31 153.43 18.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.627 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 168' ' ' HIS . . . . . 0.653 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -98.77 123.59 43.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.054 179.778 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 21.3 tp -101.48 118.51 37.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.442 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . 0.413 ' CG2' HD13 ' A' ' 36' ' ' LEU . 1.7 t -123.92 141.0 45.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.33 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.635 HD12 ' N ' ' B' ' 171' ' ' LEU . 8.3 mp -82.31 113.8 20.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.637 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -62.96 102.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.53 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . 0.533 HD13 ' CG ' ' A' ' 43' ' ' PHE . 18.3 mt -76.62 174.65 10.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.451 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 31.0 mtm180 -152.78 138.91 18.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.525 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . -165.67 9.75 0.07 OUTLIER Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.942 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 201' ' ' MET . . . . . 0.527 ' N ' ' O ' ' C' ' 217' ' ' VAL . 28.9 ttp . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 202' ' ' GLN . . . . . 0.411 ' N ' ' CG ' ' C' ' 201' ' ' MET . 62.7 mt-30 -129.96 129.91 44.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.458 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 6.4 pt -136.12 151.19 28.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.76 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -98.09 153.89 18.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.369 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 77.5 t -137.41 102.47 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.233 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 206' ' ' LYS . . . . . 0.502 ' NZ ' ' OG1' ' C' ' 212' ' ' THR . 16.6 mttp -86.07 135.27 33.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.551 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 40.6 p -101.54 -172.05 2.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.329 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 208' ' ' LEU . . . . . 0.828 HD22 ' N ' ' C' ' 208' ' ' LEU . 2.1 mm? -75.4 -28.72 59.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.256 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 9.8 p -82.11 4.08 24.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.53 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 78.66 28.01 55.85 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -93.53 115.71 28.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.74 0.305 . . . . 0.0 110.651 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 212' ' ' THR . . . . . 0.502 ' OG1' ' NZ ' ' C' ' 206' ' ' LYS . 17.1 m -95.61 107.83 20.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.461 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 1.4 mt -99.65 125.17 53.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.67 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 4.1 m -93.38 107.14 19.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.088 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 19.6 mt -110.61 143.76 40.53 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.959 0.409 . . . . 0.0 111.093 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 216' ' ' GLU . . . . . 0.457 ' N ' ' CD ' ' C' ' 216' ' ' GLU . 5.3 mp0 -96.71 126.75 42.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.173 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 217' ' ' VAL . . . . . 0.527 ' O ' ' N ' ' C' ' 201' ' ' MET . 16.5 m -147.61 -166.71 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.73 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 218' ' ' GLU . . . . . 0.521 ' OE2' ' N ' ' C' ' 201' ' ' MET . 36.5 mm-40 -143.9 148.95 44.36 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.064 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -47.83 -34.89 22.96 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.451 2.101 . . . . 0.0 112.434 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.05 13.92 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.232 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 221' ' ' ASP . . . . . 0.482 ' OD2' ' N ' ' C' ' 218' ' ' GLU . 34.7 m-20 -89.9 135.75 33.45 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.91 0.385 . . . . 0.0 110.324 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 4.2 p -83.2 138.84 33.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.999 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 29.9 mm -46.59 -38.7 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.282 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -58.68 -44.55 90.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.372 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 225' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -61.23 -37.16 82.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.057 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 47.6 t -63.91 -53.81 39.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.138 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 29.3 mttp -49.29 -40.99 36.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.181 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -61.39 -44.86 96.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.298 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -57.04 -43.15 81.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.31 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 5.0 mt -61.85 -51.25 74.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.198 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -51.23 -30.89 18.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.225 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 232' ' ' ASP . . . . . 0.415 ' O ' ' OD1' ' C' ' 232' ' ' ASP . 61.7 t0 -75.66 -27.02 58.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.57 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt -82.14 -64.08 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.498 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -86.97 -109.28 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.506 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -169.12 12.29 0.05 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 236' ' ' ILE . . . . . 0.509 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 43.2 mt -81.3 114.92 53.05 Favored Pre-proline 0 C--N 1.329 -0.3 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -64.42 150.06 88.94 Favored 'Trans proline' 0 C--N 1.314 -1.271 0 C-N-CA 121.508 1.472 . . . . 0.0 111.573 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 238' ' ' PRO . . . . . 0.477 ' O ' ' N ' ' C' ' 240' ' ' GLN . 2.7 Cg_endo -48.35 -65.89 0.15 Allowed 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.395 2.063 . . . . 0.0 111.937 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.23 -21.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 240' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' C' ' 238' ' ' PRO . 11.6 mt-30 -105.52 37.01 2.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.738 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 241' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 76.9 mt-30 -134.54 154.13 51.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.054 0.454 . . . . 0.0 110.693 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 242' ' ' ARG . . . . . 0.688 ' NH1' HD21 ' D' ' 328' ' ' ASN . 11.5 mtt180 -155.1 103.6 2.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.808 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 243' ' ' LEU . . . . . 0.47 HD22 HD23 ' C' ' 267' ' ' LEU . 54.6 mt -84.65 126.14 33.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.6 mt -131.12 117.02 35.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.288 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 245' ' ' PHE . . . . . 0.542 ' O ' ' HB3' ' C' ' 246' ' ' ALA . 52.0 t80 -109.62 77.83 1.09 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.68 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 246' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' C' ' 245' ' ' PHE . . . 72.09 89.59 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.769 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 247' ' ' GLY . . . . . 0.492 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 38.47 31.0 0.1 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 248' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' C' ' 246' ' ' ALA . 26.3 mmtm -133.74 100.92 4.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.785 0.326 . . . . 0.0 110.633 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 249' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' C' ' 250' ' ' LEU . 19.6 tm0? -76.22 125.01 28.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.114 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 250' ' ' LEU . . . . . 0.524 ' O ' ' NE2' ' C' ' 249' ' ' GLN . 8.8 mt -86.55 127.41 34.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.773 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -73.52 160.51 31.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.621 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.12 -18.12 47.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.78 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -105.22 38.93 3.04 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.331 -0.707 . . . . 0.0 111.331 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 28.2 mmt-85 -139.64 172.01 13.41 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 255' ' ' THR . . . . . 0.41 ' OG1' ' OD1' ' C' ' 258' ' ' ASP . 27.7 p -114.7 158.52 21.68 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.678 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 60.8 mt -57.06 -28.67 62.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.672 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 257' ' ' SER . . . . . . . . . . . . . 25.8 p -66.74 -41.34 88.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.733 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 258' ' ' ASP . . . . . 0.41 ' OD1' ' OG1' ' C' ' 255' ' ' THR . 1.0 OUTLIER -52.37 -29.36 23.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.663 -179.843 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -100.42 16.92 22.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.683 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 260' ' ' ASN . . . . . 0.549 ' C ' HD22 ' C' ' 260' ' ' ASN . 0.2 OUTLIER 44.74 41.5 5.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 88.6 mt -84.31 109.44 17.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.383 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -85.24 -157.82 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.797 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -85.6 160.06 19.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 59.73 30.22 19.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.751 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 8.9 m -87.22 132.83 33.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.39 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 5.6 m -86.36 105.58 16.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.636 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 267' ' ' LEU . . . . . 0.47 HD23 HD22 ' C' ' 243' ' ' LEU . 5.5 mp -94.05 121.18 35.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.393 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 268' ' ' HIS . . . . . 0.638 ' ND1' ' N ' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -83.83 105.9 15.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.476 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 44.9 tp -86.26 133.48 33.82 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.612 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 270' ' ' VAL . . . . . 0.459 HG22 HD13 ' D' ' 336' ' ' LEU . 3.1 t -129.27 163.94 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.58 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 271' ' ' LEU . . . . . 0.755 ' N ' HD12 ' C' ' 271' ' ' LEU . 6.2 mp -97.05 114.8 26.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.528 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -82.88 118.0 23.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.372 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 273' ' ' LEU . . . . . 0.656 ' HG ' HH12 ' D' ' 340' ' ' ARG . 1.2 mt -91.04 154.31 19.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.553 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 274' ' ' ARG . . . . . 0.439 ' CZ ' ' CB ' ' C' ' 274' ' ' ARG . 8.9 mtp-105 -60.41 -138.32 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.467 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . -161.74 -155.86 8.11 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 276' ' ' CYS . . . . . 0.443 ' O ' ' SG ' ' C' ' 276' ' ' CYS . 19.4 p . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.602 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.612 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 12.6 t -157.43 -157.72 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.909 0.385 . . . . 0.0 110.508 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 311' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' D' ' 312' ' ' LYS . 34.6 ttpt -156.69 56.56 0.55 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.405 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 312' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' D' ' 311' ' ' LYS . 7.5 mmtp 48.43 179.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.498 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -96.58 106.05 18.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.579 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -84.77 92.76 8.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.506 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 315' ' ' LEU . . . . . 0.419 HD13 ' OE1' ' D' ' 342' ' ' GLU . 14.8 mt -105.35 45.98 0.94 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.469 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 8.6 t -79.7 -13.01 59.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -146.81 88.48 1.75 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.838 0.351 . . . . 0.0 110.798 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -131.62 168.23 18.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.308 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -110.75 165.92 11.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.729 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 320' ' ' TYR . . . . . 0.479 ' CD1' ' C ' ' D' ' 320' ' ' TYR . 14.3 t80 -63.16 -48.73 77.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.591 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.22 94.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.778 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.67 -53.79 53.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.766 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.577 HD21 ' CD ' ' D' ' 342' ' ' GLU . 15.0 mt -59.25 -52.66 64.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.566 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 324' ' ' ARG . . . . . 0.67 HH21 HH22 ' C' ' 242' ' ' ARG . 6.3 tpt180 -59.16 -52.13 67.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.672 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 325' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' D' ' 329' ' ' THR . 14.1 t70 -60.17 -47.13 87.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.729 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 326' ' ' THR . . . . . 0.468 ' O ' ' CB ' ' D' ' 330' ' ' SER . 64.5 m -56.07 -41.83 75.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.666 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 327' ' ' ILE . . . . . 0.568 ' CD1' ' NH2' ' D' ' 340' ' ' ARG . 87.3 mt -73.74 -35.51 43.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.595 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 328' ' ' ASN . . . . . 0.688 HD21 ' NH1' ' C' ' 242' ' ' ARG . 1.5 m-80 -81.09 -22.29 39.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.964 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.476 ' N ' ' O ' ' D' ' 325' ' ' ASP . 72.8 p -103.03 -46.98 4.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.843 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 330' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' D' ' 326' ' ' THR . 0.9 OUTLIER -79.74 167.57 20.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.067 0.461 . . . . 0.0 110.861 -179.631 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 331' ' ' CYS . . . . . 0.492 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 6.5 p -138.24 15.27 2.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.051 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 332' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' D' ' 333' ' ' ILE . 20.3 m-20 -74.02 90.96 2.01 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.588 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . 0.697 ' HA ' HD12 ' D' ' 336' ' ' LEU . 3.3 mt -38.44 -40.41 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.778 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -56.38 -58.98 5.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.129 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 335' ' ' LEU . . . . . 0.451 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 9.0 mt -57.06 -46.3 82.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.824 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 336' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' D' ' 333' ' ' ILE . 66.3 mt -50.71 -48.54 58.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.139 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -59.72 -49.5 77.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.09 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -60.44 -41.22 93.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.101 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 339' ' ' CYS . . . . . 0.451 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 63.8 m -62.99 -54.07 44.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.2 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 340' ' ' ARG . . . . . 0.656 HH12 ' HG ' ' C' ' 273' ' ' LEU . 0.0 OUTLIER -51.68 -40.21 59.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.355 -0.384 . . . . 0.0 109.966 179.584 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -61.33 -55.13 35.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 342' ' ' GLU . . . . . 0.577 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.1 pt-20 -66.86 -37.04 83.68 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.898 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.08 -48.29 80.85 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.409 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -63.85 -54.46 34.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.209 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -45.91 -56.51 5.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.397 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 68.9 mtt-85 -46.62 -45.23 18.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.614 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -70.1 -53.72 16.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -50.98 -51.94 47.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.53 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 349' ' ' VAL . . . . . 0.516 HG22 ' N ' ' D' ' 350' ' ' TYR . 7.1 p -148.55 159.39 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.598 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 350' ' ' TYR . . . . . 0.516 ' N ' HG22 ' D' ' 349' ' ' VAL . 41.7 t80 54.74 86.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.612 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 351' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.932 -1.033 . . . . 0.0 110.523 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.613 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.1 t -171.83 141.23 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 110.5 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -163.83 139.82 6.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.596 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -77.19 -177.65 4.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.51 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -94.39 122.14 36.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.605 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -78.61 92.94 4.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.442 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.7 mt -93.18 44.59 1.15 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.575 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.0 t -84.81 -10.5 57.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.819 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -147.46 84.01 1.55 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.739 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -129.93 164.21 24.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.287 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -105.36 165.15 11.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.561 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -66.0 -48.79 70.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.519 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.61 -33.68 74.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.714 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -68.34 -55.61 11.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.681 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.53 HD21 ' CD ' ' A' ' 42' ' ' GLU . 14.3 mt -55.29 -56.94 14.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.446 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.62 ' NH1' HE22 ' C' ' 262' ' ' GLN . 0.0 OUTLIER -53.01 -53.34 51.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.392 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.533 ' OD2' ' CZ ' ' C' ' 245' ' ' PHE . 1.5 t70 -53.65 -50.96 64.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.393 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.58 ' O ' ' N ' ' A' ' 30' ' ' SER . 19.7 m -50.87 -51.62 49.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.758 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 53.2 mt -65.04 -27.15 41.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.801 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.526 ' CG ' HH21 ' B' ' 142' ' ' ARG . 1.3 m-80 -98.22 -0.26 44.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.121 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.519 ' N ' ' O ' ' A' ' 25' ' ' ASP . 73.1 p -133.18 -6.24 3.02 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.141 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.58 ' N ' ' O ' ' A' ' 26' ' ' THR . 7.6 t -109.53 169.69 8.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.007 0.432 . . . . 0.0 111.153 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 85.8 m -144.28 39.36 1.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.401 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -115.79 104.4 11.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.733 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.445 ' HA ' HD12 ' A' ' 36' ' ' LEU . 5.6 mt -43.16 -36.04 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.449 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -62.0 -53.85 49.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.113 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.486 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 10.1 mt -64.34 -43.22 95.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.036 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 33' ' ' ILE . 17.0 mt -59.94 -47.21 86.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.163 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.99 -49.07 73.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.476 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.408 ' O ' ' HG2' ' A' ' 41' ' ' GLU . . . -61.5 -52.41 64.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.372 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 98.3 m -51.8 -43.97 63.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.386 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.4 mtp-105 -68.59 -33.12 73.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.446 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.445 ' CG ' ' N ' ' A' ' 42' ' ' GLU . 2.6 pt-20 -66.48 -45.43 79.68 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.615 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.53 ' CD ' HD21 ' A' ' 23' ' ' LEU . 4.0 pt-20 -71.81 -35.9 70.1 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.299 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -61.49 -44.69 96.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.926 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -66.73 -54.02 27.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.191 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -45.91 -55.82 6.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.387 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.7 mtp85 -45.96 -38.21 7.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.637 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.5 mt -77.87 -35.5 50.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.495 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -71.78 -60.44 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.541 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.489 ' O ' HG13 ' A' ' 49' ' ' VAL . 11.4 p -45.21 127.43 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.621 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.515 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 32.2 t80 -155.38 72.07 0.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.495 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.515 ' CG ' ' O ' ' A' ' 50' ' ' TYR . 84.9 m-70 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.6 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 13.4 ttp . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -82.13 134.54 35.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.536 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 12.5 pt -134.9 142.99 38.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.749 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -95.55 140.09 30.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.594 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 18.0 t -122.81 106.8 18.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.268 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 7.8 tptp -81.15 134.68 35.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.561 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 23.9 p -101.35 -167.51 1.43 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.459 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.926 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.6 OUTLIER -82.7 -34.55 27.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.443 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 36.2 p -77.99 5.03 10.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.612 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 83.23 2.96 90.4 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -79.41 124.93 28.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.554 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 8.4 m -97.34 152.65 18.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.56 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 2.1 mt -136.83 126.87 39.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.536 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 5.3 m -94.45 124.59 38.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.297 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 31.1 mt -131.17 134.97 47.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.827 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -85.79 131.92 34.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.236 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 34.9 m -150.98 -164.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.923 0.392 . . . . 0.0 110.822 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.507 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 6.1 mt-10 -144.62 146.74 33.33 Favored Pre-proline 0 CA--C 1.531 0.237 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.107 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -48.11 -10.24 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.447 2.098 . . . . 0.0 112.366 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . 0.452 ' N ' ' O ' ' B' ' 118' ' ' GLU . 1.9 p -97.17 -22.96 16.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.719 0.295 . . . . 0.0 110.834 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . 0.507 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 1.3 m-20 -48.86 138.08 11.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.931 0.396 . . . . 0.0 110.711 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . 0.479 ' O ' ' N ' ' B' ' 125' ' ' ASN . 18.4 p -89.89 135.9 33.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.631 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 27.8 mm -41.44 -44.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.484 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -57.42 -38.4 74.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.228 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.496 HD22 ' C ' ' B' ' 125' ' ' ASN . 0.1 OUTLIER -64.17 -40.15 95.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.156 179.609 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 74.9 t -63.13 -50.61 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.978 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . 0.444 ' NZ ' ' C ' ' B' ' 141' ' ' GLN . 46.3 mttm -51.38 -41.19 60.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.189 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.38 -43.2 99.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.274 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -59.09 -39.93 83.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.244 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 8.3 mt -67.25 -32.34 57.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.174 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -67.32 -31.4 71.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.338 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' B' ' 132' ' ' ASP . 3.5 m-20 -78.92 -26.29 43.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.755 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -83.77 -64.26 1.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.667 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -83.26 -107.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.635 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -174.3 22.86 0.06 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.761 -0.935 . . . . 0.0 110.761 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.522 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 24.1 mt -101.25 107.98 52.92 Favored Pre-proline 0 C--N 1.33 -0.282 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -62.94 152.76 77.51 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 121.674 1.583 . . . . 0.0 111.853 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.509 ' C ' ' H ' ' B' ' 140' ' ' GLN . 2.8 Cg_endo -46.93 -57.57 2.22 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.571 2.181 . . . . 0.0 111.851 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -51.17 -8.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.506 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.509 ' H ' ' C ' ' B' ' 138' ' ' PRO . 54.8 mt-30 -123.9 32.28 5.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.494 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 59.4 mt-30 -129.86 168.6 16.35 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.376 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.526 HH21 ' CG ' ' A' ' 28' ' ' ASN . 36.6 ttt85 -170.35 109.01 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.35 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 14.2 mt -93.99 132.01 38.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.771 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.6 mt -123.46 141.28 44.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.292 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' B' ' 148' ' ' LYS . 36.7 t80 -155.53 159.93 40.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.616 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 43.26 27.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 68.33 35.38 82.24 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' B' ' 145' ' ' PHE . 80.6 mttt -148.09 139.7 23.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.782 0.325 . . . . 0.0 110.685 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' B' ' 150' ' ' LEU . 10.5 tm0? -75.97 127.51 33.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.168 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.526 ' O ' ' NE2' ' B' ' 149' ' ' GLN . 15.0 mt -81.26 133.83 35.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 0.0 110.907 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -78.36 163.4 25.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.69 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.01 -28.5 32.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.975 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -95.34 43.27 2.24 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -139.67 173.59 11.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.686 0.279 . . . . 0.0 110.335 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 29.8 p -118.14 162.04 18.87 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.719 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.21 -15.68 48.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.684 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 2.8 t -81.03 -42.39 21.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.726 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -48.89 -42.38 36.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.705 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -87.12 0.88 54.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.6 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . 0.516 ' O ' ' NE2' ' B' ' 162' ' ' GLN . 21.8 m-20 60.81 41.72 14.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.677 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 76.7 mt -82.72 101.84 7.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.395 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' B' ' 160' ' ' ASN . 4.4 mp0 -78.67 -172.0 2.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.667 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -72.03 161.42 30.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.793 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 57.51 33.9 23.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.969 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 65.4 m -90.49 136.27 33.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.489 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 9.1 m -93.47 103.63 15.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.605 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 11.2 mt -91.82 126.49 36.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.471 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 168' ' ' HIS . . . . . 0.665 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -81.89 112.34 18.91 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.553 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . 0.799 HD13 ' C ' ' B' ' 169' ' ' LEU . 2.6 tm? -88.7 132.32 34.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.019 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . 0.693 ' N ' HD13 ' B' ' 169' ' ' LEU . 2.1 t -143.78 138.16 25.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.713 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.6 HD12 ' N ' ' B' ' 171' ' ' LEU . 7.8 mp -77.24 158.52 30.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.531 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -109.56 70.94 0.75 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.262 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 13.9 mt -40.36 104.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.748 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . 0.473 ' CZ ' ' CB ' ' B' ' 174' ' ' ARG . 11.6 ttm105 -58.9 152.87 18.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 175' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' B' ' 176' ' ' GLY . . . -151.15 -47.35 0.02 OUTLIER Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' B' ' 175' ' ' GLY . . . . . . . . 0 CA--C 1.526 0.722 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 201' ' ' MET . . . . . 0.54 ' N ' ' O ' ' C' ' 217' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 202' ' ' GLN . . . . . 0.417 ' O ' ' OE1' ' C' ' 264' ' ' GLU . 21.3 mt-30 -118.09 112.41 20.17 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.436 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 11.8 pt -100.54 161.26 3.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.825 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -105.05 154.95 19.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.13 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 65.4 t -139.8 108.45 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.219 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 50.3 mttm -97.33 133.17 42.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.985 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 30.3 p -93.96 -148.51 0.26 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.362 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 208' ' ' LEU . . . . . 0.932 ' H ' HD22 ' C' ' 208' ' ' LEU . 0.5 OUTLIER -83.46 -47.62 11.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.313 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 5.9 p -74.03 20.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.511 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 210' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' C' ' 208' ' ' LEU . . . 65.47 22.15 69.29 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -76.97 109.83 11.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.725 0.298 . . . . 0.0 110.594 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 9.3 m -90.73 145.53 24.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.649 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 213' ' ' ILE . . . . . 0.404 HG21 HD13 ' C' ' 213' ' ' ILE . 2.7 mt -137.58 128.06 37.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.661 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 5.4 m -91.41 117.39 29.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.08 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 23.9 mt -119.36 131.09 55.64 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.893 0.378 . . . . 0.0 111.098 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -84.13 115.63 22.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.913 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 217' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' C' ' 201' ' ' MET . 4.6 m -145.76 177.59 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.854 0.359 . . . . 0.0 111.165 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 218' ' ' GLU . . . . . 0.591 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 62.8 mt-10 -131.26 152.76 81.13 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.955 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.19 -25.89 2.1 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.714 2.276 . . . . 0.0 112.613 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 2.4 p -81.68 -26.14 34.93 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.136 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 221' ' ' ASP . . . . . 0.591 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 1.1 m-20 -44.96 137.8 3.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.962 0.41 . . . . 0.0 110.825 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 222' ' ' THR . . . . . 0.461 ' O ' ' N ' ' C' ' 225' ' ' ASN . 18.2 p -91.25 136.5 33.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.463 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 20.9 mm -41.54 -48.66 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.523 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -53.78 -36.56 62.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.275 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 225' ' ' ASN . . . . . 0.538 HD22 ' C ' ' C' ' 225' ' ' ASN . 0.2 OUTLIER -65.23 -41.01 94.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.12 179.594 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 13.7 t -63.09 -44.51 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.088 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -56.93 -39.08 73.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.123 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.71 -45.01 91.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.248 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 229' ' ' LYS . . . . . 0.474 ' NZ ' HD21 ' C' ' 225' ' ' ASN . 43.4 mttp -56.74 -51.33 69.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.269 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 73.3 mt -56.16 -45.12 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.223 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.75 -26.14 44.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.083 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -76.66 -39.0 53.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.336 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -72.18 -63.67 1.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.283 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -80.89 -115.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.589 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -167.54 10.87 0.06 OUTLIER Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 236' ' ' ILE . . . . . 0.498 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 40.4 mt -79.55 116.24 59.26 Favored Pre-proline 0 C--N 1.329 -0.324 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.26 152.12 74.38 Favored 'Trans proline' 0 C--N 1.314 -1.263 0 C-N-CA 121.468 1.445 . . . . 0.0 111.478 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -47.49 -60.89 0.71 Allowed 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.427 2.085 . . . . 0.0 111.97 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 239' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' C' ' 239' ' ' ASP . 9.9 t70 -47.36 -22.37 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.796 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -104.48 34.04 3.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.764 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 241' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 67.7 mt-30 -134.51 144.69 48.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.583 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 242' ' ' ARG . . . . . 0.574 ' NH2' ' NH1' ' C' ' 272' ' ' ARG . 19.5 ttm180 -150.47 122.98 8.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.283 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 243' ' ' LEU . . . . . 0.564 HD22 HD23 ' C' ' 267' ' ' LEU . 76.7 mt -101.0 130.55 47.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.074 0.464 . . . . 0.0 110.997 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.6 mt -128.62 126.28 64.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.208 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 245' ' ' PHE . . . . . 0.533 ' CZ ' ' OD2' ' A' ' 25' ' ' ASP . 63.2 t80 -110.89 74.19 0.86 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.654 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 246' ' ' ALA . . . . . 0.483 ' C ' ' H ' ' C' ' 248' ' ' LYS . . . 66.04 69.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.847 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 247' ' ' GLY . . . . . 0.563 ' H ' ' HB3' ' D' ' 331' ' ' CYS . . . 73.55 -23.07 1.02 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 248' ' ' LYS . . . . . 0.483 ' H ' ' C ' ' C' ' 246' ' ' ALA . 87.7 mttt -81.99 90.74 6.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.737 0.303 . . . . 0.0 110.62 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 249' ' ' GLN . . . . . 0.529 HE21 ' C ' ' C' ' 249' ' ' GLN . 0.0 OUTLIER -68.25 128.35 36.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.063 179.656 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 8.5 mt -89.29 134.21 34.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 0.0 110.845 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -82.6 159.97 22.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.544 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.72 -18.63 58.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.968 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -107.04 43.09 1.76 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 21.7 mmt-85 -139.81 175.43 9.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.634 0.254 . . . . 0.0 110.344 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 255' ' ' THR . . . . . 0.411 ' C ' ' H ' ' C' ' 257' ' ' SER . 26.6 p -119.43 163.37 17.34 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.736 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 256' ' ' LEU . . . . . 0.419 ' CD1' HG21 ' C' ' 217' ' ' VAL . 95.8 mt -66.21 1.18 1.64 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.689 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 257' ' ' SER . . . . . 0.492 ' C ' ' H ' ' C' ' 259' ' ' TYR . 29.6 t -96.41 -33.49 11.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.623 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.75 17.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.595 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 259' ' ' TYR . . . . . 0.492 ' H ' ' C ' ' C' ' 257' ' ' SER . 68.9 m-85 -140.63 2.77 1.83 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.55 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 260' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' C' ' 260' ' ' ASN . 0.4 OUTLIER 62.03 24.99 14.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.786 179.842 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 86.8 mt -75.92 111.32 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.362 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 262' ' ' GLN . . . . . 0.62 HE22 ' NH1' ' A' ' 24' ' ' ARG . 30.0 mt-30 -86.65 -157.45 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.705 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -85.75 157.97 20.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.735 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 264' ' ' GLU . . . . . 0.417 ' OE1' ' O ' ' C' ' 202' ' ' GLN . 8.1 mm-40 56.66 25.75 10.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.846 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 16.0 m -79.01 136.83 37.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.386 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 5.0 m -83.42 108.52 16.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.707 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 267' ' ' LEU . . . . . 0.564 HD23 HD22 ' C' ' 243' ' ' LEU . 1.3 mp -98.39 125.23 43.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.262 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 268' ' ' HIS . . . . . 0.642 ' ND1' ' N ' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -85.7 109.93 18.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.473 -179.873 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 62.8 tp -87.8 143.97 26.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.714 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 270' ' ' VAL . . . . . 0.48 HG22 HD13 ' D' ' 336' ' ' LEU . 2.0 t -145.27 137.59 20.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.361 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 271' ' ' LEU . . . . . 0.762 ' N ' HD12 ' C' ' 271' ' ' LEU . 6.4 mp -85.87 112.46 21.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.498 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 272' ' ' ARG . . . . . 0.574 ' NH1' ' NH2' ' C' ' 242' ' ' ARG . 40.6 mtp180 -62.97 120.13 10.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.619 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 273' ' ' LEU . . . . . 0.4 HD13 ' CD1' ' D' ' 343' ' ' PHE . 12.4 mt -89.9 74.77 7.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.508 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 22.2 ttt85 -72.25 56.65 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.568 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . -82.87 24.86 4.94 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 84.8 m . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.524 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 52.3 m -155.47 128.92 8.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.762 0.315 . . . . 0.0 110.513 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 311' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -167.48 153.0 7.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.543 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 312' ' ' LYS . . . . . 0.527 ' N ' ' CD ' ' D' ' 312' ' ' LYS . 3.0 mptp? -78.48 178.3 7.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.427 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -104.37 140.49 37.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -80.85 92.86 6.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.621 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 15.8 mt -99.57 43.66 1.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.532 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 99.3 p -84.42 -0.16 51.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.668 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -138.77 69.79 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.661 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -130.03 175.23 9.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.384 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.515 ' N ' ' OE1' ' D' ' 322' ' ' GLU . 33.3 mttp -128.19 170.09 13.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.756 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 320' ' ' TYR . . . . . 0.489 ' CD1' ' C ' ' D' ' 320' ' ' TYR . 8.0 t80 -62.01 -46.67 88.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.541 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -61.82 -48.01 82.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 322' ' ' GLU . . . . . 0.515 ' OE1' ' N ' ' D' ' 319' ' ' LYS . 73.3 mt-10 -56.44 -55.92 27.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.568 HD21 ' CD ' ' D' ' 342' ' ' GLU . 15.3 mt -59.02 -59.64 5.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.65 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 324' ' ' ARG . . . . . 0.69 ' NH1' HD21 ' D' ' 328' ' ' ASN . 16.2 tpt85 -53.09 -49.62 66.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.699 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 325' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' D' ' 329' ' ' THR . 32.0 t70 -62.03 -47.17 85.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.68 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 326' ' ' THR . . . . . 0.536 ' O ' ' N ' ' D' ' 330' ' ' SER . 54.5 m -55.54 -47.18 76.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.404 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 327' ' ' ILE . . . . . 0.473 HG23 HD22 ' D' ' 336' ' ' LEU . 85.2 mt -67.04 -31.98 55.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.43 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 328' ' ' ASN . . . . . 0.69 HD21 ' NH1' ' D' ' 324' ' ' ARG . 1.0 OUTLIER -88.31 -14.05 39.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 -179.544 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.518 ' N ' ' O ' ' D' ' 325' ' ' ASP . 57.4 p -113.77 -13.42 12.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.93 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 330' ' ' SER . . . . . 0.536 ' N ' ' O ' ' D' ' 326' ' ' THR . 4.4 t -112.41 -176.58 2.95 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.043 0.449 . . . . 0.0 110.877 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 331' ' ' CYS . . . . . 0.563 ' HB3' ' H ' ' C' ' 247' ' ' GLY . 9.7 p -152.02 7.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.172 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -69.97 92.34 0.72 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.412 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . 0.697 ' HA ' HD12 ' D' ' 336' ' ' LEU . 2.1 mt -38.55 -41.86 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.668 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -54.76 -54.3 43.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.112 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 335' ' ' LEU . . . . . 0.45 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 8.5 mt -61.39 -42.16 98.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.023 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 336' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' D' ' 333' ' ' ILE . 84.0 mt -53.46 -44.51 68.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.434 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -68.05 -49.41 61.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.471 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -60.38 -43.9 96.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.251 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 339' ' ' CYS . . . . . 0.45 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 76.9 m -63.04 -53.44 53.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.155 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 340' ' ' ARG . . . . . 0.506 ' O ' ' CD2' ' D' ' 344' ' ' HIS . 22.2 mtp85 -51.88 -38.35 55.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.221 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -63.78 -60.04 3.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.612 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 342' ' ' GLU . . . . . 0.568 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.3 pt-20 -62.09 -36.48 81.83 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.433 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 343' ' ' PHE . . . . . 0.4 ' CD1' HD13 ' C' ' 273' ' ' LEU . 11.3 t80 -60.71 -42.06 96.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.139 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 344' ' ' HIS . . . . . 0.508 ' O ' ' N ' ' D' ' 348' ' ' LYS . 31.2 m170 -66.43 -50.18 64.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.056 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -50.01 -46.46 52.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.257 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 12.2 mtp85 -60.48 -47.37 86.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.626 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' D' ' 347' ' ' LEU . 4.4 mm? -75.64 -20.06 58.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.372 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 348' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' D' ' 344' ' ' HIS . 18.0 tptm -84.05 -75.84 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.487 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 349' ' ' VAL . . . . . . . . . . . . . 13.4 p -103.03 133.53 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.575 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 350' ' ' TYR . . . . . 0.527 ' O ' ' CD2' ' D' ' 350' ' ' TYR . 46.2 t80 -170.63 31.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.587 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 351' ' ' HIS . . . . . 0.447 ' OXT' ' ND1' ' D' ' 351' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.534 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.641 ' O ' HG23 ' A' ' 10' ' ' THR . 6.6 t -84.09 97.8 9.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.859 0.362 . . . . 0.0 110.532 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -84.86 77.66 10.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.561 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt -83.83 -160.16 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.487 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -129.57 157.4 42.16 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.444 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -113.11 92.91 4.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.663 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.4 mt -95.79 45.26 1.08 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.369 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.7 m -79.93 18.37 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.726 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -170.91 84.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.605 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -134.01 174.16 10.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.365 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.3 mttp -122.38 165.02 16.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.669 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.426 ' OH ' ' N ' ' B' ' 176' ' ' GLY . 18.7 t80 -63.27 -49.48 73.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.433 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.43 -36.22 81.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.662 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -66.41 -55.21 16.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.667 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.572 HD21 ' CD ' ' A' ' 42' ' ' GLU . 15.9 mt -55.27 -56.3 21.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.478 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.76 HH12 HH22 ' B' ' 142' ' ' ARG . 14.9 tpt85 -53.87 -53.36 53.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.472 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' A' ' 29' ' ' THR . 9.4 t70 -52.96 -51.15 62.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.435 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.577 ' O ' ' N ' ' A' ' 30' ' ' SER . 24.1 m -50.84 -50.33 56.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.671 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.7 mt -67.5 -22.77 29.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.491 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.71 HD21 ' NH1' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -101.73 0.41 35.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.248 -179.647 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 25' ' ' ASP . 50.5 p -140.06 -1.53 1.56 Allowed 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.909 -0.317 . . . . 0.0 111.29 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.577 ' N ' ' O ' ' A' ' 26' ' ' THR . 2.0 t -119.72 157.15 29.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.021 0.439 . . . . 0.0 111.076 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.501 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 26.9 p -134.52 85.98 2.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.383 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -158.89 97.62 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.538 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.421 HG13 ' H ' ' A' ' 33' ' ' ILE . 1.9 mt -39.31 -42.39 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.863 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -56.41 -59.01 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.315 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 24.7 mt -58.88 -50.15 75.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.086 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.403 HD13 ' CG2' ' B' ' 170' ' ' VAL . 36.3 mt -50.41 -45.32 55.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.456 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.14 -48.95 77.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.386 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.89 -46.02 91.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.321 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 78.5 m -57.47 -53.52 57.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.283 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.2 mtp85 -55.63 -42.63 75.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.464 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -55.79 -62.86 1.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.658 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.572 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.9 pt-20 -59.57 -40.59 87.85 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.428 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.436 ' CD1' HD13 ' B' ' 173' ' ' LEU . 13.1 t80 -52.53 -42.66 64.56 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.027 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -69.99 -45.51 67.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.239 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -48.22 -52.94 18.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.488 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -46.88 -35.33 6.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.198 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 16.1 mt -86.07 -39.38 16.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.581 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.476 ' O ' ' CE1' ' A' ' 51' ' ' HIS . 72.3 tttt -62.75 -60.51 3.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.558 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 50' ' ' TYR . 3.5 t 61.44 -123.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.373 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.403 ' N ' HG12 ' A' ' 49' ' ' VAL . 69.4 m-85 -137.6 82.67 1.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.497 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.476 ' CE1' ' O ' ' A' ' 48' ' ' LYS . 5.2 m-70 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.555 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.454 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . 0.535 ' OE1' ' N ' ' B' ' 102' ' ' GLN . 1.3 mp0 -81.13 108.97 15.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.547 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 11.2 pt -108.53 146.16 14.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.454 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -98.88 147.24 25.15 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.799 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 5.0 t -137.7 108.85 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.429 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . 0.428 ' HZ3' ' CG2' ' B' ' 166' ' ' THR . 22.8 mtmm -89.56 134.61 34.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.634 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 74.6 p -93.28 -162.04 0.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.274 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.646 HD22 ' N ' ' B' ' 108' ' ' LEU . 3.2 mm? -71.88 -52.84 15.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.499 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . 0.42 ' H ' HG23 ' B' ' 109' ' ' THR . 6.0 p -62.99 -16.95 61.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.575 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.86 25.94 7.34 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -84.44 117.61 23.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.812 0.339 . . . . 0.0 110.515 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 6.5 m -91.24 135.23 33.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.676 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 2.2 mt -123.44 125.72 72.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.531 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 24.0 m -95.15 103.39 15.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.052 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 28.4 mt -114.69 135.65 53.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.975 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.603 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 4.2 mp0 -85.91 128.43 34.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.124 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' B' ' 101' ' ' MET . 15.8 m -147.05 -162.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.04 0.447 . . . . 0.0 110.973 -179.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -143.43 171.05 7.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.653 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -74.51 -6.84 18.85 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 C-N-CA 122.294 1.996 . . . . 0.0 112.318 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 2.4 p -104.92 -4.16 22.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.515 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -68.26 136.38 53.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.473 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 4.7 p -86.08 140.21 30.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.904 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 25.0 mm -45.97 -51.98 3.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.281 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -47.86 -40.85 22.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.242 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.453 ' O ' ' HB3' ' B' ' 128' ' ' ALA . 30.1 t-20 -61.65 -46.03 91.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.072 179.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 42.3 t -56.48 -45.77 82.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.958 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -56.73 -33.36 66.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.975 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' B' ' 125' ' ' ASN . . . -64.96 -55.27 20.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.167 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.421 ' NZ ' ' OD1' ' B' ' 125' ' ' ASN . 48.9 mttp -51.56 -48.56 63.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.188 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 49.8 mt -55.99 -45.29 80.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.155 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -54.86 -30.14 57.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.996 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -72.47 -40.47 66.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.517 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -71.99 -65.95 0.7 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.394 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -77.67 -108.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.606 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . 0.407 ' H ' ' H ' ' B' ' 136' ' ' ILE . . . 176.62 16.48 0.02 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.456 ' O ' ' OE1' ' B' ' 141' ' ' GLN . 30.1 mt -81.72 128.45 69.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -57.75 144.96 92.16 Favored 'Trans proline' 0 C--N 1.313 -1.297 0 C-N-CA 121.531 1.487 . . . . 0.0 111.639 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -52.38 -29.99 41.41 Favored 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 122.171 1.914 . . . . 0.0 111.804 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . 0.455 ' C ' ' H ' ' B' ' 141' ' ' GLN . 0.7 OUTLIER -71.01 -56.15 6.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.612 -179.845 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.427 ' OE1' ' O ' ' B' ' 172' ' ' ARG . 13.4 mm100 -71.44 41.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.598 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.456 ' OE1' ' O ' ' B' ' 136' ' ' ILE . 35.8 mt-30 -134.36 160.03 39.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.586 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.76 HH22 HH12 ' A' ' 24' ' ' ARG . 11.3 ttm180 -170.34 151.97 3.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.754 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.3 mt -130.77 138.25 49.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.135 0.493 . . . . 0.0 111.218 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 2.0 mt -130.2 137.18 57.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.903 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . 0.472 ' O ' ' N ' ' B' ' 148' ' ' LYS . 64.8 t80 -153.69 161.17 42.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.668 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 39.99 29.45 0.05 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.684 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' B' ' 145' ' ' PHE . . . 66.64 42.7 93.22 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' B' ' 145' ' ' PHE . 86.2 mttt -150.8 137.47 18.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.618 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -81.7 127.32 32.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.19 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 10.1 mt -83.08 133.32 35.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 110.69 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -80.07 159.98 25.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.572 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.9 -4.17 55.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.758 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -120.61 40.49 2.15 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -139.56 171.32 14.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.637 0.256 . . . . 0.0 110.326 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 3.8 p -110.73 163.27 13.93 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.907 0.384 . . . . 0.0 110.77 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.44 -16.2 61.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.763 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . 0.5 ' C ' ' H ' ' B' ' 159' ' ' TYR . 2.5 t -78.07 -34.2 50.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.687 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -72.53 17.8 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.618 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . 0.5 ' H ' ' C ' ' B' ' 157' ' ' SER . 59.8 m-85 -140.58 1.62 1.75 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.536 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 62.66 26.62 15.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.752 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 83.0 mt -79.53 100.02 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.454 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -83.82 -157.35 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.747 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 7.3 ptp85 -82.48 161.56 22.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.736 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 57.17 15.63 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.633 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 35.1 m -81.25 136.35 35.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 166' ' ' THR . . . . . 0.428 ' CG2' ' HZ3' ' B' ' 106' ' ' LYS . 3.1 m -87.04 155.35 20.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.453 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . 0.467 HD23 ' HB2' ' B' ' 145' ' ' PHE . 11.0 mt -139.79 124.27 18.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.598 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 168' ' ' HIS . . . . . 0.654 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.2 OUTLIER -83.77 105.65 14.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.177 179.761 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . 0.8 HD23 ' N ' ' B' ' 170' ' ' VAL . 5.8 tt -85.7 131.54 34.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.164 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . 0.8 ' N ' HD23 ' B' ' 169' ' ' LEU . 3.0 t -127.57 140.84 48.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.311 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.562 HD12 ' N ' ' B' ' 171' ' ' LEU . 8.6 mp -80.97 106.45 12.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.512 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . 0.616 ' NH1' ' NH2' ' A' ' 24' ' ' ARG . 46.8 ttt85 -60.66 110.21 1.24 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.519 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . 0.436 HD13 ' CD1' ' A' ' 43' ' ' PHE . 27.6 mt -78.07 142.24 38.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.535 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -81.3 128.77 34.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.566 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 161.79 167.0 21.6 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . 0.426 ' N ' ' OH ' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.526 0.755 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 201' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -95.92 115.39 27.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.694 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 17.6 pt -106.73 147.53 11.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.564 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -96.88 146.47 24.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.651 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 44.9 t -134.55 106.8 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.323 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -93.79 134.28 36.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 48.8 p -91.32 -169.56 2.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.424 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 208' ' ' LEU . . . . . 0.959 ' H ' HD22 ' C' ' 208' ' ' LEU . 0.4 OUTLIER -85.64 22.53 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.512 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 11.7 p -136.5 1.51 2.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.524 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 89.85 8.92 66.7 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -80.04 112.66 17.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.727 0.299 . . . . 0.0 110.556 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 15.2 m -95.04 143.27 26.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.704 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 1.4 mt -133.69 124.64 48.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.446 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 30.5 m -90.92 111.84 23.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.314 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 16.8 mt -116.91 128.73 55.51 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.944 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -81.02 122.22 27.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.13 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 217' ' ' VAL . . . . . . . . . . . . . 11.0 m -146.89 -169.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.007 0.432 . . . . 0.0 110.985 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 218' ' ' GLU . . . . . 0.524 ' N ' ' OD2' ' C' ' 221' ' ' ASP . 43.2 mt-10 -147.44 153.73 44.31 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.97 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.68 -48.59 10.27 Favored 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.832 2.355 . . . . 0.0 112.595 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 2.4 p -59.48 -36.14 75.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.38 -179.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 221' ' ' ASP . . . . . 0.524 ' OD2' ' N ' ' C' ' 218' ' ' GLU . 6.2 m-20 -41.8 138.28 1.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.014 0.435 . . . . 0.0 110.908 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 19.1 p -90.3 138.31 31.64 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.626 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 20.3 mm -43.78 -55.76 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.577 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -45.84 -43.15 13.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.31 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 225' ' ' ASN . . . . . 0.482 ' O ' ' HB3' ' C' ' 228' ' ' ALA . 30.4 t-20 -59.16 -46.07 89.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.416 . . . . 0.0 109.891 179.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 36.7 t -55.81 -47.44 79.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 227' ' ' LYS . . . . . 0.443 ' O ' ' OE1' ' C' ' 241' ' ' GLN . 80.3 mttt -53.82 -33.79 57.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.857 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 228' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' C' ' 225' ' ' ASN . . . -66.78 -41.19 88.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.151 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 48.5 mttm -62.18 -42.04 98.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.385 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 44.7 mt -65.25 -46.83 89.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.34 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 231' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' C' ' 231' ' ' GLN . 0.9 OUTLIER -55.75 -30.72 61.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.356 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 232' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' C' ' 228' ' ' ALA . 22.8 m-20 -76.21 -28.04 57.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.374 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 24.5 mmtm -78.55 -62.2 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.416 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -82.94 -79.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.5 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 235' ' ' GLY . . . . . 0.411 ' H ' ' H ' ' C' ' 236' ' ' ILE . . . 153.74 9.11 0.08 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 236' ' ' ILE . . . . . 0.527 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 47.6 mt -82.48 129.58 62.41 Favored Pre-proline 0 C--N 1.329 -0.299 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -56.12 149.84 51.44 Favored 'Trans proline' 0 N--CA 1.49 1.274 0 C-N-CA 121.568 1.512 . . . . 0.0 111.567 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 238' ' ' PRO . . . . . 0.512 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.5 Cg_endo -50.32 -68.11 0.09 OUTLIER 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.319 2.013 . . . . 0.0 112.146 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -39.01 -31.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.285 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -89.19 29.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.9 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 241' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 87.3 mt-30 -134.89 95.84 3.41 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.765 0.316 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 242' ' ' ARG . . . . . . . . . . . . . 31.5 ttt85 -100.95 120.84 40.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.103 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 12.5 mt -96.33 133.5 40.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.116 0.484 . . . . 0.0 111.224 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 244' ' ' ILE . . . . . 0.419 HG21 ' SG ' ' D' ' 331' ' ' CYS . 1.7 mt -130.1 117.65 41.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.883 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 245' ' ' PHE . . . . . 0.524 ' CZ ' ' OD2' ' A' ' 25' ' ' ASP . 46.5 t80 -100.52 76.34 1.83 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.878 0.371 . . . . 0.0 111.099 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 50.6 88.71 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.151 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 247' ' ' GLY . . . . . . . . . . . . . . . 58.31 36.31 82.72 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.531 -0.627 . . . . 0.0 111.531 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -151.02 89.54 1.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.718 0.294 . . . . 0.0 110.847 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 249' ' ' GLN . . . . . 0.575 HE21 ' C ' ' C' ' 250' ' ' LEU . 0.4 OUTLIER -70.19 117.21 11.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.009 179.572 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 250' ' ' LEU . . . . . 0.575 ' C ' HE21 ' C' ' 249' ' ' GLN . 10.9 mt -77.45 141.21 39.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.967 0.413 . . . . 0.0 111.12 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -83.99 160.24 21.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.398 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.95 -3.31 59.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.714 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -123.02 39.38 2.25 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 62.1 mmt-85 -139.41 175.54 9.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.676 0.274 . . . . 0.0 110.356 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 8.8 p -112.64 156.24 23.07 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.885 0.374 . . . . 0.0 110.815 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.12 -5.6 1.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.572 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 257' ' ' SER . . . . . . . . . . . . . 8.3 t -85.38 -40.77 16.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.693 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -51.9 -33.99 39.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.745 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -96.46 10.54 37.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.715 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 50.77 39.68 22.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 69.1 mt -82.33 105.12 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.383 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 262' ' ' GLN . . . . . 0.497 HE22 HH22 ' B' ' 172' ' ' ARG . 43.9 mt-30 -82.78 -156.83 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -83.93 161.67 20.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 55.58 29.05 12.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.721 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 37.9 m -83.17 131.99 35.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.573 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 9.1 m -87.92 112.38 22.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.495 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 11.3 mt -107.27 132.95 52.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.561 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 268' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -90.79 110.22 21.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.404 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 30.8 tp -86.18 139.2 31.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 270' ' ' VAL . . . . . 0.597 ' CG1' ' CZ ' ' D' ' 340' ' ' ARG . 12.1 t -134.27 145.29 33.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.231 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 271' ' ' LEU . . . . . . . . . . . . . 7.9 mt -87.27 97.28 10.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.538 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -62.48 101.87 0.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.54 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 273' ' ' LEU . . . . . . . . . . . . . 12.6 mt -78.23 151.06 33.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.53 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 -143.61 151.43 40.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.504 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . -175.28 125.34 1.07 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 92.4 m . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.541 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -157.6 121.39 4.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 110.606 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 311' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -113.37 125.7 54.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.517 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 312' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -60.4 -156.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.596 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -139.24 136.79 35.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.463 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 314' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' D' ' 314' ' ' ASP . 0.5 OUTLIER -84.45 92.99 8.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.624 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 10.6 mt -95.79 44.98 1.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.457 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 59.0 p -82.98 18.44 1.64 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.787 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.75 84.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.66 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -133.83 -178.29 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.281 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -125.28 160.55 28.99 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.563 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -58.37 -51.37 70.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.578 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -63.14 -45.09 93.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.748 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -57.49 -43.45 84.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.68 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.556 HD21 ' CD ' ' D' ' 342' ' ' GLU . 14.6 mt -67.63 -55.39 13.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.512 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 324' ' ' ARG . . . . . 0.478 ' O ' ' ND2' ' D' ' 328' ' ' ASN . 9.9 ttt-85 -57.12 -53.39 58.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.605 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 325' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' D' ' 329' ' ' THR . 8.0 t70 -53.37 -50.98 63.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.343 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 326' ' ' THR . . . . . 0.581 ' O ' ' N ' ' D' ' 330' ' ' SER . 63.7 m -53.92 -47.84 70.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.289 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 327' ' ' ILE . . . . . 0.719 HD13 ' NH1' ' D' ' 340' ' ' ARG . 57.9 mt -67.57 -31.43 52.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.445 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 328' ' ' ASN . . . . . 0.483 HD22 ' N ' ' D' ' 328' ' ' ASN . 1.5 m-80 -88.82 -4.42 58.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.723 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.451 ' N ' ' O ' ' D' ' 325' ' ' ASP . 71.0 p -126.75 -10.26 6.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.198 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 330' ' ' SER . . . . . 0.581 ' N ' ' O ' ' D' ' 326' ' ' THR . 13.7 t -104.94 173.51 6.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.054 0.454 . . . . 0.0 111.14 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 331' ' ' CYS . . . . . 0.419 ' SG ' HG21 ' C' ' 244' ' ' ILE . 96.9 m -150.1 34.12 0.66 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.447 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 332' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' D' ' 333' ' ' ILE . 0.9 OUTLIER -110.11 101.83 10.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.651 -179.818 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . 0.742 ' H ' HD12 ' D' ' 333' ' ' ILE . 0.7 OUTLIER -38.96 -44.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.474 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -53.43 -57.03 12.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.041 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 335' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' D' ' 335' ' ' LEU . 18.6 mt -59.85 -47.01 87.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.939 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 336' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' D' ' 333' ' ' ILE . 23.5 mt -54.67 -46.64 74.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.449 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -64.07 -49.15 73.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.456 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -56.87 -43.37 81.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.338 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 339' ' ' CYS . . . . . 0.558 ' HB3' HD11 ' D' ' 327' ' ' ILE . 61.6 m -63.08 -53.59 51.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.197 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 340' ' ' ARG . . . . . 0.719 ' NH1' HD13 ' D' ' 327' ' ' ILE . 0.8 OUTLIER -56.7 -31.32 64.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.265 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -67.27 -53.68 27.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.304 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 342' ' ' GLU . . . . . 0.556 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.7 pt-20 -67.95 -37.76 81.99 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.706 -0.397 . . . . 0.0 110.49 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -62.18 -44.95 95.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 344' ' ' HIS . . . . . 0.456 ' CG ' ' O ' ' D' ' 340' ' ' ARG . 30.8 m170 -64.71 -54.68 27.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.266 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -47.18 -56.3 6.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.432 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 69.4 mtt-85 -46.04 -43.5 14.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.716 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 57.1 mt -69.17 -64.49 0.86 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.542 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 35.3 tptt -44.82 -44.75 9.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.51 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 349' ' ' VAL . . . . . . . . . . . . . 22.6 t -84.1 112.62 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.491 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 350' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -78.16 59.32 2.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.573 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 351' ' ' HIS . . . . . . . . . . . . . 72.7 t60 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.549 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.667 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.415 ' CG2' ' CE2' ' A' ' 13' ' ' TYR . 4.7 t -174.15 143.42 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.546 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 12' ' ' LYS . 55.7 tttp -60.18 108.0 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.573 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.469 ' C ' ' CD1' ' A' ' 13' ' ' TYR . 11.5 mmmt 44.11 -170.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.583 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.52 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 3.3 m-85 -145.35 144.42 30.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.537 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -80.9 92.88 6.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.57 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.0 mt -97.35 43.42 1.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.466 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.7 t -82.33 2.71 30.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.692 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -147.68 73.81 1.29 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.692 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -131.12 159.42 37.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.341 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -105.49 168.28 9.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.74 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -66.21 -47.31 74.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.464 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.85 -36.38 79.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.681 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -67.58 -55.33 13.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.621 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.59 HD21 ' CD ' ' A' ' 42' ' ' GLU . 16.0 mt -56.6 -56.76 17.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.549 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.524 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 5.0 tpt180 -54.81 -53.41 55.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.509 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.434 ' O ' ' OG1' ' A' ' 29' ' ' THR . 5.6 t70 -54.63 -50.23 68.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.566 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 30' ' ' SER . 25.6 m -53.59 -40.99 66.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.669 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.1 mt -76.43 -25.04 16.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.67 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.642 HD22 ' N ' ' A' ' 28' ' ' ASN . 0.8 OUTLIER -91.03 -8.33 49.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.945 -179.753 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.48 HG21 ' HB2' ' C' ' 246' ' ' ALA . 16.9 p -126.74 -44.46 1.66 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.01 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.5 OUTLIER -76.61 150.09 36.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.019 0.437 . . . . 0.0 111.064 -179.495 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.609 ' SG ' ' CG ' ' B' ' 168' ' ' HIS . 13.5 t -124.92 31.5 5.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.29 94.19 9.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.515 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.497 ' HA ' HD12 ' A' ' 36' ' ' LEU . 2.6 mt -39.46 -40.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.855 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -57.43 -59.04 5.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.417 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.456 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 11.9 mt -58.78 -46.13 88.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.192 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.499 HD13 ' CG2' ' B' ' 170' ' ' VAL . 82.9 mt -50.69 -43.71 57.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.451 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.56 -49.31 66.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.23 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.66 -41.29 90.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.222 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 70.8 m -61.22 -53.5 56.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.152 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.423 ' HE ' ' HB2' ' B' ' 171' ' ' LEU . 17.4 mtp-105 -52.54 -42.31 64.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.183 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -59.1 -62.87 1.56 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.729 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.59 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.9 pt-20 -59.73 -42.01 92.17 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.457 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.497 ' CD1' HD13 ' B' ' 173' ' ' LEU . 21.4 t80 -53.49 -41.41 66.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.065 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.42 ' CD2' ' O ' ' A' ' 40' ' ' ARG . 16.2 m170 -69.27 -44.33 72.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.165 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 49' ' ' VAL . 48.1 mtp180 -51.34 -52.52 44.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.456 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.452 ' O ' HG12 ' A' ' 49' ' ' VAL . 1.3 mpt_? -46.01 -32.02 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.237 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.4 mt -89.16 -37.06 15.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.496 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -89.64 10.65 22.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.6 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.853 HG22 ' H ' ' A' ' 50' ' ' TYR . 8.1 p -74.02 179.65 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.387 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.853 ' H ' HG22 ' A' ' 49' ' ' VAL . 8.1 t80 -64.98 -141.55 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.409 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 . . . . . 0 C--N 1.324 -0.521 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.639 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 2.1 ptt? . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -100.65 117.5 34.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.581 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 23.4 pt -103.88 149.74 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.609 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -102.27 133.04 47.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.586 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 97.2 t -119.28 113.46 41.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.315 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -98.25 132.45 43.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.768 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . 0.456 ' O ' ' N ' ' B' ' 110' ' ' GLY . 24.5 p -99.56 -179.81 4.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.32 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 1.062 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.4 OUTLIER -42.81 -66.9 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.531 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 36.8 p -56.41 -5.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.539 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' B' ' 108' ' ' LEU . . . 89.64 3.61 74.21 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -52.03 112.64 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.746 0.307 . . . . 0.0 110.402 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.1 m -87.77 146.29 25.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.668 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 2.9 mt -140.73 127.92 22.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.556 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 8.5 m -91.88 112.33 24.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.258 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 20.8 mt -116.29 126.67 53.88 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.873 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -78.12 117.78 19.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.154 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 7.6 m -146.47 168.54 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.949 0.404 . . . . 0.0 110.991 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.524 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 1.5 mt-10 -111.44 177.51 1.19 Allowed Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.586 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -74.76 -28.29 9.76 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.375 2.05 . . . . 0.0 112.006 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 3.9 t -84.91 -12.91 52.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.663 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . 0.524 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 50.7 m-20 -54.42 135.74 44.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.53 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 15.4 p -86.55 140.14 30.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 5.2 mm -46.72 -41.21 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.11 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.15 -40.55 74.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.0 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.546 HD22 ' C ' ' B' ' 125' ' ' ASN . 0.2 OUTLIER -62.36 -40.88 97.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.798 179.356 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 19.1 t -60.72 -53.07 54.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.928 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 39.9 mttp -49.99 -34.45 21.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.777 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' B' ' 125' ' ' ASN . . . -66.0 -43.16 88.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.138 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -59.93 -40.18 88.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.319 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 4.8 mt -66.87 -47.96 81.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.359 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -55.71 -24.55 35.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.282 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' B' ' 128' ' ' ALA . 1.0 OUTLIER -83.52 -27.7 29.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.565 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -83.78 -65.89 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.667 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -81.21 -106.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.65 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -175.83 18.85 0.04 OUTLIER Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.43 ' O ' ' OE1' ' B' ' 141' ' ' GLN . 36.7 mt -91.78 112.51 54.97 Favored Pre-proline 0 CA--C 1.532 0.258 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -63.92 152.72 79.53 Favored 'Trans proline' 0 C--N 1.314 -1.268 0 C-N-CA 121.484 1.456 . . . . 0.0 111.761 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.9 Cg_endo -47.82 -62.63 0.41 Allowed 'Trans proline' 0 C--N 1.309 -1.552 0 C-N-CA 122.497 2.131 . . . . 0.0 111.892 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -43.45 -23.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.69 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.416 ' N ' ' C ' ' B' ' 138' ' ' PRO . 80.0 mt-30 -105.66 34.87 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.546 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' B' ' 138' ' ' PRO . 33.5 mt-30 -134.37 163.98 28.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.56 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.614 ' NH1' ' NE2' ' B' ' 149' ' ' GLN . 25.2 ttt85 -170.32 104.59 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.162 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 13.1 mt -87.39 128.09 35.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.07 0.462 . . . . 0.0 110.903 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . 0.516 HG22 ' SG ' ' A' ' 31' ' ' CYS . 1.7 mt -123.05 142.4 39.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.084 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . 0.417 ' O ' ' HB3' ' B' ' 146' ' ' ALA . 66.2 t80 -146.39 104.4 3.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.815 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' B' ' 145' ' ' PHE . . . 65.7 72.65 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 38.64 43.14 1.56 Allowed Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -148.57 119.36 7.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.884 0.373 . . . . 0.0 110.535 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . 0.614 ' NE2' ' NH1' ' B' ' 142' ' ' ARG . 24.5 tt0 -80.23 124.85 29.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.317 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 14.5 mt -79.42 128.48 33.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.661 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -75.4 162.01 28.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.644 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.22 -34.11 49.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.707 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -88.86 41.29 3.04 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -139.68 146.89 40.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.756 0.312 . . . . 0.0 110.468 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . 0.416 ' C ' ' H ' ' B' ' 157' ' ' SER . 15.8 p -94.81 164.43 12.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.881 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 79.8 mt -66.6 2.15 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.64 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . 0.416 ' H ' ' C ' ' B' ' 155' ' ' THR . 85.4 p -96.46 -27.57 14.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.521 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -78.54 15.28 1.04 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.567 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -140.57 5.49 2.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.534 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 60.98 25.91 15.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.698 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 84.5 mt -77.55 99.64 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.517 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -82.86 -157.21 0.21 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.665 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -83.59 160.2 21.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.779 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 55.79 23.08 6.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.734 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 28.9 m -85.21 135.74 33.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.499 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 8.0 m -84.51 152.49 23.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.532 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.1 mt -140.09 132.49 28.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.307 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 168' ' ' HIS . . . . . 0.666 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.1 OUTLIER -88.58 100.12 12.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.47 -179.834 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 46.1 tp -84.79 133.49 34.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.862 0.363 . . . . 0.0 110.673 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . 0.499 ' CG2' HD13 ' A' ' 36' ' ' LEU . 2.5 t -133.9 142.44 41.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.498 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.681 HD12 ' N ' ' B' ' 171' ' ' LEU . 8.0 mp -80.49 105.19 11.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.571 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -57.69 105.11 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.529 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . 0.497 HD13 ' CD1' ' A' ' 43' ' ' PHE . 23.8 mt -72.83 167.93 19.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.533 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -59.56 137.79 57.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.528 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 160.78 83.37 0.05 OUTLIER Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.707 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 201' ' ' MET . . . . . 0.524 ' N ' ' O ' ' C' ' 217' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 202' ' ' GLN . . . . . 0.411 ' O ' ' OE1' ' C' ' 264' ' ' GLU . 16.1 mt-30 -86.72 119.2 26.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.544 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 15.8 pt -112.47 145.12 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.626 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -99.31 143.03 30.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.439 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 75.9 t -124.63 114.45 40.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.396 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 7.7 tptp -80.37 143.14 33.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.585 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 6.8 p -112.07 175.25 5.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.485 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 208' ' ' LEU . . . . . 0.898 ' H ' HD22 ' C' ' 208' ' ' LEU . 0.5 OUTLIER -83.54 23.89 0.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.424 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 209' ' ' THR . . . . . 0.486 ' C ' ' H ' ' C' ' 211' ' ' LYS . 9.3 p -136.52 26.03 3.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.553 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 67.87 -8.82 1.64 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 211' ' ' LYS . . . . . 0.486 ' H ' ' C ' ' C' ' 209' ' ' THR . 46.0 tttm -76.05 161.74 28.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.55 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 212' ' ' THR . . . . . 0.501 HG22 ' N ' ' C' ' 213' ' ' ILE . 54.3 m -136.27 160.48 38.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.474 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 213' ' ' ILE . . . . . 0.501 ' N ' HG22 ' C' ' 212' ' ' THR . 2.2 mt -141.1 125.98 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.604 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 4.9 m -99.35 126.06 45.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.365 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 38.0 mt -131.86 138.72 48.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.877 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 216' ' ' GLU . . . . . 0.596 ' CD ' ' H ' ' C' ' 216' ' ' GLU . 17.1 mp0 -84.15 125.64 32.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.122 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 217' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' C' ' 201' ' ' MET . 10.8 m -146.69 179.27 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.964 0.411 . . . . 0.0 110.874 -179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 218' ' ' GLU . . . . . 0.568 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 83.7 mt-10 -135.62 150.07 70.96 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.966 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.92 -22.48 2.02 Favored 'Trans proline' 0 C--N 1.31 -1.462 0 C-N-CA 122.532 2.155 . . . . 0.0 112.344 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.3 p -92.94 11.27 27.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.057 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 221' ' ' ASP . . . . . 0.568 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 7.9 m-20 -84.05 134.31 34.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 110.303 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 222' ' ' THR . . . . . 0.462 ' O ' ' N ' ' C' ' 225' ' ' ASN . 6.9 p -84.17 134.4 34.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.805 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 31.3 mm -43.84 -45.23 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.16 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -55.76 -34.15 64.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.068 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 225' ' ' ASN . . . . . 0.531 HD22 ' C ' ' C' ' 225' ' ' ASN . 0.2 OUTLIER -66.94 -39.26 87.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.994 179.474 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 14.8 t -65.29 -47.68 86.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.235 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -55.96 -37.31 68.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.243 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -66.48 -38.2 86.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.402 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -64.16 -42.52 96.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.478 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 59.4 mt -68.73 -29.59 44.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.497 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 231' ' ' GLN . . . . . 0.432 ' O ' ' OE1' ' C' ' 231' ' ' GLN . 0.6 OUTLIER -73.15 -22.65 60.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.196 179.819 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -83.54 -36.07 24.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.598 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -83.35 -66.4 0.9 Allowed 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.318 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -68.19 -114.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.551 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -172.9 13.37 0.04 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 236' ' ' ILE . . . . . 0.523 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 15.2 mt -93.25 112.9 58.37 Favored Pre-proline 0 CA--C 1.532 0.277 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -62.28 155.46 56.79 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 121.564 1.509 . . . . 0.0 111.774 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 238' ' ' PRO . . . . . 0.522 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.7 Cg_endo -46.3 -67.82 0.11 Allowed 'Trans proline' 0 C--N 1.309 -1.526 0 C-N-CA 122.696 2.264 . . . . 0.0 112.015 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -42.29 -20.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.831 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 240' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' C' ' 238' ' ' PRO . 32.3 mt-30 -108.39 33.8 3.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.646 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 241' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 58.0 mt-30 -134.37 162.8 31.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.46 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 242' ' ' ARG . . . . . 0.634 HH21 ' CD ' ' C' ' 272' ' ' ARG . 18.9 ttm180 -170.26 116.52 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.473 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 17.5 mt -97.89 132.44 43.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.732 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.5 mt -126.16 142.72 41.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.5 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 245' ' ' PHE . . . . . 0.664 ' O ' ' HB3' ' C' ' 246' ' ' ALA . 60.7 t80 -143.36 93.02 2.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.604 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 246' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' C' ' 245' ' ' PHE . . . 81.18 52.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.65 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 247' ' ' GLY . . . . . 0.487 ' H ' ' HB3' ' D' ' 331' ' ' CYS . . . 72.48 -41.82 0.82 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 248' ' ' LYS . . . . . 0.412 ' H ' ' C ' ' C' ' 246' ' ' ALA . 7.0 ptpt -70.68 137.78 50.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.942 0.401 . . . . 0.0 110.84 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 249' ' ' GLN . . . . . 0.626 ' NE2' ' NE ' ' C' ' 242' ' ' ARG . 32.0 tt0 -91.91 143.71 26.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.289 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 11.6 mt -89.23 125.57 35.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.767 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 251' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' C' ' 251' ' ' GLU . 0.6 OUTLIER -68.91 162.21 27.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.612 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.72 -33.58 31.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.857 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -92.52 41.45 2.76 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 22.9 mmt-85 -139.74 170.58 15.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.669 0.271 . . . . 0.0 110.314 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 23.5 p -113.48 163.66 14.62 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.691 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 88.5 mt -58.7 -39.38 80.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.699 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 257' ' ' SER . . . . . 0.491 ' C ' ' H ' ' C' ' 259' ' ' TYR . 14.6 t -59.42 -33.66 71.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -71.7 15.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.731 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 259' ' ' TYR . . . . . 0.491 ' H ' ' C ' ' C' ' 257' ' ' SER . 54.8 m-85 -140.71 5.92 2.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.577 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 260' ' ' ASN . . . . . 0.524 ' ND2' ' OE1' ' B' ' 149' ' ' GLN . 53.9 t30 60.83 27.24 17.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.787 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 82.5 mt -80.49 105.98 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.449 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -83.26 -157.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -85.65 157.64 20.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.745 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 264' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' C' ' 202' ' ' GLN . 6.0 mm-40 58.57 32.1 21.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.847 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 29.6 m -84.37 128.28 34.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.531 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 8.0 m -91.86 93.04 8.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.647 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 267' ' ' LEU . . . . . 0.55 ' C ' ' HD1' ' C' ' 268' ' ' HIS . 2.4 mp -78.62 168.73 19.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.591 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 268' ' ' HIS . . . . . 0.617 ' ND1' ' N ' ' C' ' 268' ' ' HIS . 0.1 OUTLIER -114.98 111.75 21.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.179 179.712 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 42.2 tp -89.8 131.4 35.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.365 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 270' ' ' VAL . . . . . 0.482 HG11 HG23 ' D' ' 327' ' ' ILE . 0.8 OUTLIER -136.38 141.93 39.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.441 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 271' ' ' LEU . . . . . 0.642 ' N ' HD12 ' C' ' 271' ' ' LEU . 8.3 mp -80.36 99.46 7.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.297 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 272' ' ' ARG . . . . . 0.634 ' CD ' HH21 ' C' ' 242' ' ' ARG . 24.0 ttm180 -56.72 110.91 0.87 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.476 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 273' ' ' LEU . . . . . 0.499 HD13 ' CD1' ' D' ' 343' ' ' PHE . 11.8 mt -86.09 68.79 10.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.496 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -76.53 103.27 6.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.601 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . -73.83 -136.57 0.35 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 17.9 t . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.59 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.623 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 310' ' ' THR . . . . . 0.419 ' O ' ' O ' ' D' ' 311' ' ' LYS . 53.4 m -156.96 104.78 2.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.744 0.306 . . . . 0.0 110.475 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 311' ' ' LYS . . . . . 0.471 ' NZ ' ' OD1' ' D' ' 314' ' ' ASP . 23.7 ttpp 60.13 134.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.578 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 312' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -60.87 177.72 0.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.622 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -91.36 126.2 36.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.529 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 314' ' ' ASP . . . . . 0.471 ' OD1' ' NZ ' ' D' ' 311' ' ' LYS . 1.2 m-20 -77.84 92.91 4.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.55 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 13.8 mt -87.58 41.38 0.98 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.519 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 65.8 m -86.09 18.37 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.636 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -147.44 18.57 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.589 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -91.56 173.83 7.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.497 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -116.67 163.72 15.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.347 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -61.26 -49.35 77.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.622 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.72 96.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.712 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -57.38 -58.54 7.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.486 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.545 HD13 ' OE1' ' D' ' 342' ' ' GLU . 16.1 mt -52.87 -61.58 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.54 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 324' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -53.07 -51.86 60.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.436 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 325' ' ' ASP . . . . . 0.54 ' O ' ' N ' ' D' ' 329' ' ' THR . 6.6 t70 -53.32 -51.14 63.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.475 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 326' ' ' THR . . . . . 0.549 ' O ' ' N ' ' D' ' 330' ' ' SER . 53.2 m -51.18 -48.05 62.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.704 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 327' ' ' ILE . . . . . 0.482 HG23 HG11 ' C' ' 270' ' ' VAL . 97.4 mt -66.46 -27.81 41.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.481 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 328' ' ' ASN . . . . . 0.696 HD22 ' N ' ' D' ' 328' ' ' ASN . 0.7 OUTLIER -99.64 1.06 43.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.277 -179.358 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.54 ' N ' ' O ' ' D' ' 325' ' ' ASP . 70.6 p -133.95 -6.24 2.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.608 0.242 . . . . 0.0 110.881 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 330' ' ' SER . . . . . 0.549 ' N ' ' O ' ' D' ' 326' ' ' THR . 3.0 t -118.11 170.84 8.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.984 0.421 . . . . 0.0 110.734 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 331' ' ' CYS . . . . . 0.487 ' HB3' ' H ' ' C' ' 247' ' ' GLY . 1.2 p -137.2 18.87 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.247 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -83.01 91.76 7.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.252 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . 0.542 ' HA ' HD12 ' D' ' 336' ' ' LEU . 3.4 mm -38.1 -44.18 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.816 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 334' ' ' GLU . . . . . 0.583 ' CD ' ' H ' ' D' ' 334' ' ' GLU . 20.8 mp0 -53.87 -58.8 5.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.35 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 7.9 mt -54.72 -45.14 74.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.33 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 336' ' ' LEU . . . . . 0.542 HD12 ' HA ' ' D' ' 333' ' ' ILE . 67.2 mt -50.59 -48.06 57.88 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.113 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.26 -49.26 77.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.275 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -62.44 -53.51 53.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.168 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 339' ' ' CYS . . . . . 0.464 ' O ' ' OE2' ' D' ' 342' ' ' GLU . 97.7 m -52.23 -35.82 50.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.164 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 340' ' ' ARG . . . . . 0.511 HH21 HD22 ' C' ' 271' ' ' LEU . 17.7 mtp-105 -76.22 -30.74 58.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.078 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 341' ' ' GLU . . . . . 0.426 ' CG ' ' N ' ' D' ' 342' ' ' GLU . 1.7 pt-20 -69.27 -43.41 73.97 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.089 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 342' ' ' GLU . . . . . 0.545 ' OE1' HD13 ' D' ' 323' ' ' LEU . 3.0 pp20? -73.01 -40.21 65.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.798 179.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 343' ' ' PHE . . . . . 0.499 ' CD1' HD13 ' C' ' 273' ' ' LEU . 8.3 t80 -59.54 -39.43 83.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.211 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -72.85 -56.36 5.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.501 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 345' ' ' ARG . . . . . 0.436 ' NH2' ' CB ' ' D' ' 342' ' ' GLU . 0.6 OUTLIER -46.61 -43.37 17.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.224 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 -53.68 -39.45 65.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.456 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 12.9 mt -81.95 -22.23 36.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.462 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -69.84 -58.24 4.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.569 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 349' ' ' VAL . . . . . 0.426 ' C ' ' H ' ' D' ' 351' ' ' HIS . 15.0 m -63.36 -168.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.568 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 350' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -78.13 29.9 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.567 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 351' ' ' HIS . . . . . 0.507 ' CD2' ' OXT' ' D' ' 351' ' ' HIS . 12.8 t-160 . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.559 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 11' ' ' LYS . 53.2 m -156.07 99.49 1.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.775 0.321 . . . . 0.0 110.51 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.422 ' N ' ' CD ' ' A' ' 11' ' ' LYS . 4.5 mptp? 38.32 87.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.72 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -75.87 171.46 14.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.52 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.505 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 8.5 m-85 -97.03 122.76 40.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.51 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.71 92.86 5.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.481 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.9 mt -100.6 43.41 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.505 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.1 m -84.66 4.32 32.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.707 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.8 mttm -146.64 66.39 1.17 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.61 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -127.94 164.78 21.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.329 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -114.71 170.98 7.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.51 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -66.27 -45.56 80.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.511 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.81 80.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.662 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -68.45 -55.01 13.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.627 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.474 HD21 ' CD ' ' A' ' 42' ' ' GLU . 13.3 mt -58.2 -56.97 15.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.519 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.724 HH12 ' HE ' ' B' ' 172' ' ' ARG . 0.1 OUTLIER -53.05 -52.58 58.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.45 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.524 ' OD2' ' CE1' ' C' ' 245' ' ' PHE . 4.4 t70 -54.72 -50.26 68.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.484 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.553 ' O ' ' N ' ' A' ' 30' ' ' SER . 22.9 m -51.44 -46.66 63.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 88.4 mt -73.33 -25.64 21.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.894 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.69 HD22 ' N ' ' A' ' 28' ' ' ASN . 0.7 OUTLIER -89.58 -7.6 54.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.091 -179.698 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.47 HG21 ' HB3' ' C' ' 246' ' ' ALA . 21.9 p -129.97 -47.12 1.13 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.212 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.553 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.2 t -65.0 164.43 12.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.984 0.421 . . . . 0.0 111.168 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.441 ' SG ' ' CG2' ' B' ' 144' ' ' ILE . 85.2 m -141.94 40.43 1.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.406 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -111.01 99.91 8.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.774 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.711 ' H ' HD12 ' A' ' 33' ' ' ILE . 1.2 mp -39.92 -43.01 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.677 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.598 ' CD ' ' H ' ' A' ' 34' ' ' GLU . 24.5 mp0 -55.42 -58.9 5.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.232 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.477 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 11.6 mt -58.59 -50.33 74.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.089 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 68.8 mt -50.42 -44.62 55.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.52 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.43 -49.22 74.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.582 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.0 -43.39 98.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.516 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.477 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 60.5 m -58.78 -51.78 68.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.381 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.1 mtp-105 -60.03 -38.17 81.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.393 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -58.23 -57.95 10.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.771 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.474 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.8 pt-20 -63.16 -35.64 80.98 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.652 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CD1' HD13 ' B' ' 173' ' ' LEU . 3.5 t80 -58.88 -41.56 87.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.205 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -71.21 -53.55 14.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.471 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 -45.85 -50.04 14.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.379 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 70.8 mtt-85 -50.35 -40.19 48.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.476 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 56.6 mt -74.13 -36.26 64.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.512 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -78.78 -76.42 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.541 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 49' ' ' VAL . 11.7 p -95.08 132.19 39.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.568 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -166.17 61.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.535 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.572 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.521 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -88.71 114.12 24.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.524 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 20.3 pt -104.06 149.18 8.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.621 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -101.18 145.73 28.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.515 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 44.7 t -126.05 107.42 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.031 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -96.72 124.38 40.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.747 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 41.3 p -86.32 -160.34 0.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.437 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.937 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.5 OUTLIER -83.76 -34.12 24.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.351 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 5.0 p -78.96 4.32 14.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.526 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.48 21.02 60.92 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -81.8 112.7 19.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.765 0.317 . . . . 0.0 110.612 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 6.8 m -95.69 135.65 37.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.504 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 3.5 mt -132.64 129.59 58.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.64 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 4.5 m -95.83 125.44 40.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.432 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 27.5 mt -131.59 133.62 45.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.691 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -79.4 123.43 27.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.319 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . 0.521 ' O ' ' N ' ' B' ' 101' ' ' MET . 6.4 m -147.12 -179.74 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.951 0.405 . . . . 0.0 110.778 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.582 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 81.5 mt-10 -136.53 150.43 70.36 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.904 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.3 -25.86 3.49 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.537 2.158 . . . . 0.0 112.44 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.4 p -90.06 11.45 20.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.127 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . 0.582 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 6.5 m-20 -83.48 133.98 34.87 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.272 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . 0.448 ' O ' ' N ' ' B' ' 125' ' ' ASN . 8.1 p -84.27 135.09 34.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.829 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 28.8 mm -43.27 -43.14 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.133 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -56.49 -39.24 72.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.022 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.5 ' OD1' ' NZ ' ' B' ' 129' ' ' LYS . 36.2 t-20 -62.99 -37.91 89.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.869 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 16.0 t -64.74 -55.21 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.946 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -47.51 -39.03 15.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.212 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.38 91.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.397 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.5 ' NZ ' ' OD1' ' B' ' 125' ' ' ASN . 60.4 mttp -57.96 -42.49 85.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.433 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 4.7 mt -64.07 -48.82 84.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.376 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.8 OUTLIER -54.08 -26.85 29.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.378 179.847 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -80.31 -29.8 38.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.449 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -80.13 -66.28 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.513 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -81.22 -108.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.627 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -169.37 9.63 0.05 OUTLIER Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.418 ' O ' ' OE1' ' B' ' 141' ' ' GLN . 21.5 mt -80.66 115.47 55.6 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -62.4 153.2 72.33 Favored 'Trans proline' 0 C--N 1.315 -1.186 0 C-N-CA 121.448 1.432 . . . . 0.0 111.612 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.5 Cg_endo -47.86 -67.89 0.1 Allowed 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.515 2.143 . . . . 0.0 112.058 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -43.97 -23.1 0.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.181 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -99.64 28.81 4.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.916 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' B' ' 138' ' ' PRO . 21.7 mt-30 -134.62 145.27 48.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.943 0.401 . . . . 0.0 110.787 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.579 ' NE ' ' NE2' ' B' ' 149' ' ' GLN . 8.0 ttt180 -150.52 114.22 4.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.961 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.0 mt -91.01 134.79 34.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.224 0.535 . . . . 0.0 111.301 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . 0.441 ' CG2' ' SG ' ' A' ' 31' ' ' CYS . 2.6 mt -131.02 134.85 61.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.048 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . 0.521 ' CD1' ' O ' ' B' ' 166' ' ' THR . 43.6 t80 -150.83 161.98 41.63 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.75 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 41.77 29.39 0.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.759 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 66.48 37.46 92.68 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' B' ' 145' ' ' PHE . 24.5 mtpp -145.73 136.61 24.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.804 0.335 . . . . 0.0 110.586 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . 0.579 ' NE2' ' NE ' ' B' ' 142' ' ' ARG . 18.7 tt0 -79.56 124.62 28.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.139 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 10.0 mt -81.23 126.74 31.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.357 . . . . 0.0 110.768 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . 0.408 ' OE2' ' OD1' ' C' ' 260' ' ' ASN . 11.8 mm-40 -73.54 161.35 30.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.538 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.13 -27.0 39.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -97.35 41.15 2.37 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.286 -0.725 . . . . 0.0 111.286 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -139.64 171.91 13.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 25.3 p -114.81 163.97 14.75 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.876 0.369 . . . . 0.0 110.793 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 90.2 mt -59.9 -38.03 81.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.651 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . 0.48 ' C ' ' H ' ' B' ' 159' ' ' TYR . 54.7 p -62.18 -32.15 72.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.692 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -71.95 15.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.753 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . 0.48 ' H ' ' C ' ' B' ' 157' ' ' SER . 52.3 m-85 -140.61 7.42 2.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.543 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 64.9 t30 61.25 24.71 14.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.763 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 96.7 mt -78.15 104.21 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.462 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -81.9 -159.04 0.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.749 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -85.73 158.64 19.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.763 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 55.67 28.6 12.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.803 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 19.7 m -93.85 134.72 35.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.523 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 166' ' ' THR . . . . . 0.521 ' O ' ' CD1' ' B' ' 145' ' ' PHE . 5.9 m -78.18 156.37 29.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.407 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.1 mt -140.07 114.21 9.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.251 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 168' ' ' HIS . . . . . 0.69 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -70.07 102.65 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.172 -179.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 42.8 tp -87.28 132.57 33.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.354 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.5 t -127.46 142.54 43.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.377 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.561 HD12 ' N ' ' B' ' 171' ' ' LEU . 8.7 mp -79.49 97.12 6.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.437 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . 0.724 ' HE ' HH12 ' A' ' 24' ' ' ARG . 0.0 OUTLIER -60.13 94.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.304 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . 0.465 HD13 ' CD1' ' A' ' 43' ' ' PHE . 23.9 mt -61.57 128.06 34.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.591 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 12.7 ttt85 53.31 -137.36 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.484 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 152.95 40.0 0.02 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.676 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 201' ' ' MET . . . . . 0.751 ' SD ' HG23 ' C' ' 203' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -156.54 94.16 1.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.468 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 203' ' ' ILE . . . . . 0.751 HG23 ' SD ' ' C' ' 201' ' ' MET . 7.3 pt -104.14 149.7 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.768 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -103.58 143.88 32.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.488 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 45.3 t -127.66 116.55 43.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.637 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -97.56 129.5 44.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.554 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 32.2 p -88.11 -149.67 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.385 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 208' ' ' LEU . . . . . 0.917 ' H ' HD22 ' C' ' 208' ' ' LEU . 0.7 OUTLIER -82.99 -54.58 4.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.386 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 73.3 p -63.76 2.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.647 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 210' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' C' ' 208' ' ' LEU . . . 83.71 21.37 58.02 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -77.92 116.61 18.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.447 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 6.0 m -91.12 145.32 24.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.568 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 2.9 mt -140.0 127.04 23.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.484 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 6.2 m -91.88 126.63 37.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.238 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 30.9 mt -129.88 140.44 50.98 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.884 0.373 . . . . 0.0 110.845 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -91.87 128.09 37.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.146 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 217' ' ' VAL . . . . . 0.507 ' CG2' ' SD ' ' C' ' 201' ' ' MET . 17.2 m -148.65 -159.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.06 0.457 . . . . 0.0 110.882 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 218' ' ' GLU . . . . . 0.501 ' C ' ' H ' ' C' ' 220' ' ' SER . 42.7 mt-10 -151.35 146.5 19.05 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.823 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -50.34 -4.68 0.06 OUTLIER 'Trans proline' 0 C--N 1.309 -1.532 0 C-N-CA 122.357 2.038 . . . . 0.0 112.448 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 220' ' ' SER . . . . . 0.501 ' H ' ' C ' ' C' ' 218' ' ' GLU . 1.7 p -109.72 9.54 24.87 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.662 0.268 . . . . 0.0 110.949 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 221' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -82.69 138.08 34.23 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.367 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 222' ' ' THR . . . . . 0.431 ' O ' ' N ' ' C' ' 225' ' ' ASN . 5.0 p -84.17 133.97 34.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.785 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 27.6 mm -43.6 -40.4 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.254 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -58.77 -39.61 81.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.296 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 225' ' ' ASN . . . . . 0.526 HD22 ' C ' ' C' ' 225' ' ' ASN . 0.1 OUTLIER -64.14 -40.15 95.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.089 179.629 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 21.0 t -63.1 -49.06 84.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.005 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 227' ' ' LYS . . . . . 0.407 ' CA ' HE22 ' C' ' 241' ' ' GLN . 83.3 mttt -52.84 -39.7 62.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.156 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.15 -42.39 99.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.26 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -59.11 -42.54 90.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.256 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 8.7 mt -65.97 -33.97 67.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.242 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -66.07 -27.37 68.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.293 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -82.24 -26.36 33.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.66 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 45.0 mmtt -84.6 -64.56 1.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.619 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -82.27 -106.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.699 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -176.17 20.2 0.05 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 236' ' ' ILE . . . . . 0.445 ' O ' ' OE1' ' C' ' 241' ' ' GLN . 23.3 mt -98.34 110.06 54.91 Favored Pre-proline 0 C--N 1.331 -0.236 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -64.53 152.96 79.66 Favored 'Trans proline' 0 N--CA 1.489 1.233 0 C-N-CA 121.524 1.483 . . . . 0.0 111.721 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 238' ' ' PRO . . . . . 0.517 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.8 Cg_endo -47.41 -63.57 0.31 Allowed 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.58 2.187 . . . . 0.0 111.947 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -43.47 -19.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.615 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 240' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' C' ' 238' ' ' PRO . 29.6 mt-30 -110.18 33.97 4.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.54 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 241' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' C' ' 238' ' ' PRO . 32.9 mt-30 -134.44 162.67 31.59 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.997 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 242' ' ' ARG . . . . . 0.716 HH22 ' HE ' ' C' ' 272' ' ' ARG . 5.3 mtt85 -162.56 98.12 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.852 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 12.8 mt -82.1 127.63 33.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.044 0.45 . . . . 0.0 111.08 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 244' ' ' ILE . . . . . 0.523 HG22 ' SG ' ' D' ' 331' ' ' CYS . 1.6 mt -128.75 125.21 62.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.129 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 245' ' ' PHE . . . . . 0.524 ' CE1' ' OD2' ' A' ' 25' ' ' ASP . 82.6 t80 -115.79 74.37 0.89 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.031 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 246' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' C' ' 245' ' ' PHE . . . 70.57 88.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 247' ' ' GLY . . . . . 0.633 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 42.84 26.97 0.51 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.134 -0.787 . . . . 0.0 111.134 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 21.7 mmtm -131.58 95.39 3.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.723 0.297 . . . . 0.0 110.54 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 249' ' ' GLN . . . . . 0.583 HE22 ' HE ' ' C' ' 242' ' ' ARG . 42.7 tt0 -71.86 120.89 18.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.084 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 12.0 mt -80.01 131.13 35.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.798 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -77.69 160.76 28.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.487 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 252' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' C' ' 252' ' ' ASP . 0.3 OUTLIER -81.81 -28.95 32.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.806 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -96.84 39.85 2.7 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 26.1 mmt-85 -139.67 171.54 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 30.1 p -113.61 166.07 11.89 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.878 0.371 . . . . 0.0 110.685 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 50.1 mt -60.22 -40.94 91.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.706 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 257' ' ' SER . . . . . 0.493 ' C ' ' H ' ' C' ' 259' ' ' TYR . 5.0 t -56.22 -33.75 65.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -71.6 16.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.701 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 259' ' ' TYR . . . . . 0.493 ' H ' ' C ' ' C' ' 257' ' ' SER . 63.8 m-85 -140.61 6.59 2.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.555 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 260' ' ' ASN . . . . . 0.518 HD22 ' N ' ' C' ' 260' ' ' ASN . 1.4 m120 58.58 27.96 16.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.739 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 87.1 mt -79.03 102.7 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.511 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 262' ' ' GLN . . . . . 0.689 HE22 HH22 ' A' ' 24' ' ' ARG . 29.0 mt-30 -80.17 -163.84 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.68 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -83.51 157.29 22.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.756 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 60.76 21.31 11.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.718 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 30.2 m -85.99 137.33 32.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.585 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 7.0 m -86.45 157.63 19.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.418 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 7.5 mt -139.01 149.87 45.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.303 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 268' ' ' HIS . . . . . 0.624 ' ND1' ' N ' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -107.16 95.99 6.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.518 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 40.7 tp -82.34 131.54 35.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.455 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 270' ' ' VAL . . . . . 0.458 HG22 HD13 ' D' ' 336' ' ' LEU . 4.9 t -123.18 147.38 27.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.807 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 271' ' ' LEU . . . . . 0.433 ' CB ' ' NH1' ' D' ' 340' ' ' ARG . 0.5 OUTLIER -81.44 97.83 7.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.086 179.641 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 272' ' ' ARG . . . . . 0.716 ' HE ' HH22 ' C' ' 242' ' ' ARG . 68.3 ttt180 -62.69 117.2 5.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.622 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 273' ' ' LEU . . . . . 0.492 HD13 ' CD1' ' D' ' 343' ' ' PHE . 11.0 mt -88.57 -178.31 5.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.59 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 274' ' ' ARG . . . . . 0.415 ' C ' ' H ' ' C' ' 276' ' ' CYS . 32.2 mtt-85 -67.36 85.12 0.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.55 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . -76.31 17.32 4.14 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 276' ' ' CYS . . . . . 0.415 ' H ' ' C ' ' C' ' 274' ' ' ARG . 21.6 t . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.566 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.637 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 12.6 t -156.21 -158.02 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.01 0.433 . . . . 0.0 110.407 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 311' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -122.09 112.72 18.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.535 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 312' ' ' LYS . . . . . 0.532 ' N ' ' CD ' ' D' ' 312' ' ' LYS . 3.0 mptp? -70.0 -169.34 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.502 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -135.39 148.53 49.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.437 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.91 92.89 4.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.655 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 18.8 mt -99.12 32.7 2.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.464 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 13.2 t -79.25 2.28 21.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.683 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 317' ' ' LYS . . . . . 0.498 ' NZ ' ' CB ' ' D' ' 317' ' ' LYS . 5.3 mtmp? -139.0 63.0 1.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.714 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -128.09 163.22 25.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.41 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -103.79 160.26 14.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.656 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -58.44 -51.38 70.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.607 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.64 95.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.742 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -53.35 -49.31 67.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.62 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.522 HD21 ' CD ' ' D' ' 342' ' ' GLU . 13.0 mt -62.65 -56.95 13.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.589 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 324' ' ' ARG . . . . . 0.679 ' NH2' HH21 ' C' ' 242' ' ' ARG . 10.0 tpt85 -53.05 -48.09 67.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.524 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 325' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' D' ' 329' ' ' THR . 1.1 m-20 -58.89 -49.78 76.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.401 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 326' ' ' THR . . . . . 0.507 ' O ' ' N ' ' D' ' 330' ' ' SER . 93.8 m -51.59 -43.94 62.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.497 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 90.6 mt -71.83 -29.1 32.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.517 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 328' ' ' ASN . . . . . 0.517 HD21 ' CZ ' ' D' ' 324' ' ' ARG . 42.0 m-80 -96.99 2.42 51.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.524 ' N ' ' O ' ' D' ' 325' ' ' ASP . 75.8 p -131.87 -17.14 2.83 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.966 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 330' ' ' SER . . . . . 0.507 ' N ' ' O ' ' D' ' 326' ' ' THR . 1.6 t -111.44 165.75 11.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.97 0.414 . . . . 0.0 110.913 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 331' ' ' CYS . . . . . 0.633 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 29.4 t -134.8 25.48 3.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.344 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 332' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' D' ' 333' ' ' ILE . 11.6 m-20 -87.66 91.61 8.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.331 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . 0.701 ' HA ' HD12 ' D' ' 336' ' ' LEU . 3.2 mt -38.66 -38.57 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.731 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 334' ' ' GLU . . . . . 0.626 ' CD ' ' H ' ' D' ' 334' ' ' GLU . 3.6 mp0 -58.46 -58.92 6.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.272 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 335' ' ' LEU . . . . . 0.485 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 11.9 mt -58.01 -43.02 86.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.047 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 336' ' ' LEU . . . . . 0.701 HD12 ' HA ' ' D' ' 333' ' ' ILE . 77.0 mt -52.73 -44.78 66.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.447 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -66.44 -49.22 67.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.276 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -60.61 -41.34 94.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.249 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 339' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 76.4 m -61.83 -53.81 50.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.083 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 340' ' ' ARG . . . . . 0.498 ' O ' ' CD2' ' D' ' 344' ' ' HIS . 10.4 mtp85 -53.09 -40.28 63.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.185 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -59.46 -61.05 2.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.632 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 342' ' ' GLU . . . . . 0.522 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.6 pt-20 -62.51 -36.54 82.88 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.417 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 343' ' ' PHE . . . . . 0.492 ' CD1' HD13 ' C' ' 273' ' ' LEU . 10.6 t80 -63.66 -33.38 75.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.063 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 344' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' D' ' 340' ' ' ARG . 37.3 m170 -73.69 -45.57 51.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.433 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 62.0 mtp85 -58.63 -43.77 89.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.561 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 346' ' ' ARG . . . . . 0.432 ' O ' ' CG2' ' D' ' 349' ' ' VAL . 14.2 mtp85 -62.24 -38.68 90.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.807 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -78.02 -56.78 4.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.41 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -57.25 -59.65 4.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.733 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 349' ' ' VAL . . . . . 0.445 HG12 ' N ' ' D' ' 350' ' ' TYR . 13.0 t 58.98 160.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.505 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 350' ' ' TYR . . . . . 0.445 ' N ' HG12 ' D' ' 349' ' ' VAL . 21.0 p90 -141.32 42.47 1.77 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.57 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 351' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.515 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.633 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.1 m -75.68 54.49 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.836 0.35 . . . . 0.0 110.536 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -82.97 -163.22 0.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -100.5 -177.11 3.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.485 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -92.9 130.28 38.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.543 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -79.62 92.95 5.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.503 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.5 mt -95.6 37.01 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.595 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.3 p -86.31 18.47 3.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.673 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.6 mttp -147.2 40.88 1.06 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.619 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -110.38 168.98 9.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.514 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -123.86 155.38 38.14 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.371 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.519 ' OH ' ' N ' ' B' ' 176' ' ' GLY . 54.7 t80 -45.45 -54.32 7.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.581 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.64 -50.0 66.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.748 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -53.62 -58.27 7.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.799 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.55 HD21 ' CD ' ' A' ' 42' ' ' GLU . 14.0 mt -57.25 -57.06 14.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.784 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.516 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 5.1 tpt180 -53.05 -44.98 67.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.632 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 29' ' ' THR . 12.8 m-20 -60.86 -49.52 77.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.451 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.475 ' O ' ' CB ' ' A' ' 30' ' ' SER . 26.3 m -55.31 -41.42 72.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.556 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.7 mt -77.02 -22.51 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.667 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.601 HD22 ' N ' ' A' ' 28' ' ' ASN . 0.9 OUTLIER -96.7 -4.95 39.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.138 -179.596 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 25' ' ' ASP . 41.3 p -131.05 -36.34 1.33 Allowed 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.011 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 26' ' ' THR . 0.4 OUTLIER -86.95 155.96 19.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.987 0.422 . . . . 0.0 111.134 -179.501 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.566 ' SG ' ' CG ' ' B' ' 168' ' ' HIS . 33.4 t -128.47 30.25 5.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.217 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 33' ' ' ILE . 6.7 m-20 -91.58 92.71 8.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.455 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.656 ' HA ' HD12 ' A' ' 36' ' ' LEU . 2.6 mt -38.64 -41.31 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.882 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -56.07 -58.87 6.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.265 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.6 mt -58.78 -46.03 88.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.031 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 33' ' ' ILE . 62.0 mt -50.43 -45.01 55.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.177 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.29 -49.12 73.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.259 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.35 -42.66 92.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.26 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 72.6 m -62.66 -53.54 52.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.134 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.3 mtp85 -52.85 -38.67 61.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.155 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.37 -60.82 3.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.711 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.55 ' CD ' HD21 ' A' ' 23' ' ' LEU . 4.1 pt-20 -62.53 -36.37 82.37 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.696 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.515 ' CD1' HD13 ' B' ' 173' ' ' LEU . 13.1 t80 -60.44 -41.4 93.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.405 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -74.31 -55.24 6.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.48 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.422 ' O ' HG12 ' A' ' 49' ' ' VAL . 88.9 mtt180 -45.88 -44.07 14.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.496 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 64.1 mtt-85 -55.04 -28.06 49.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.483 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.8 mt -93.43 -53.71 3.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.544 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.466 ' C ' ' H ' ' A' ' 50' ' ' TYR . 78.2 tttt -51.78 -39.78 59.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.666 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 49' ' ' VAL . 7.6 p -62.86 0.38 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.498 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.466 ' H ' ' C ' ' A' ' 48' ' ' LYS . 39.1 t80 -113.1 44.5 1.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.531 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.522 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 12.8 t-80 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.534 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.546 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -83.75 113.94 21.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.414 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 17.7 pt -103.99 142.39 17.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.691 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -95.67 129.91 42.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.636 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.446 HG23 HD23 ' B' ' 115' ' ' LEU . 94.7 t -112.68 108.62 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.028 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -82.26 130.35 35.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.752 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 66.6 p -98.5 -178.11 3.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.365 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.923 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.7 OUTLIER -81.32 -26.63 35.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.383 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 7.3 p -81.52 7.4 12.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.52 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.02 1.33 89.89 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -84.24 125.67 32.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.815 0.341 . . . . 0.0 110.613 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.6 m -101.37 150.45 23.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.353 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 5.9 mt -132.75 132.65 59.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.565 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . 0.508 ' C ' HD22 ' B' ' 115' ' ' LEU . 8.8 m -98.42 105.82 18.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.573 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.838 HD22 ' N ' ' B' ' 115' ' ' LEU . 2.0 mm? -102.25 129.18 48.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.636 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -82.95 118.96 23.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.782 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . 0.546 ' O ' ' N ' ' B' ' 101' ' ' MET . 11.5 m -146.28 -159.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.218 0.532 . . . . 0.0 111.293 -179.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.637 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 2.2 mt-10 -150.5 170.97 6.94 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . 0.415 ' O ' ' OG ' ' B' ' 157' ' ' SER . 3.5 Cg_exo -71.37 -4.82 15.72 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.121 1.881 . . . . 0.0 112.397 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.9 p -109.16 3.4 21.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.738 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . 0.637 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 0.4 OUTLIER -77.27 139.15 39.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.416 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 18.7 p -84.96 137.36 33.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.933 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 25.9 mm -45.55 -50.01 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.265 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -49.46 -40.36 36.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.257 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.92 -40.77 98.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.085 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 42.5 t -62.43 -42.96 97.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.04 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' B' ' 141' ' ' GLN . 85.5 mttt -58.52 -37.88 76.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.307 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.87 -43.62 92.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.344 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -59.46 -51.52 69.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.433 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 69.3 mt -56.46 -46.79 82.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.345 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . 0.429 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.7 OUTLIER -53.99 -32.26 53.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.123 179.713 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -70.23 -38.39 75.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.348 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -71.26 -62.92 1.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.216 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -82.55 -116.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.603 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -165.08 9.51 0.07 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 53.3 mt -79.86 117.02 65.25 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.57 152.57 67.5 Favored 'Trans proline' 0 C--N 1.314 -1.264 0 C-N-CA 121.475 1.45 . . . . 0.0 111.56 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.492 ' O ' ' N ' ' B' ' 140' ' ' GLN . 2.7 Cg_endo -47.03 -67.78 0.11 Allowed 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.567 2.178 . . . . 0.0 112.013 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.1 -21.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' B' ' 138' ' ' PRO . 26.7 mt-30 -105.36 34.21 3.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.774 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' B' ' 138' ' ' PRO . 63.8 mt-30 -134.54 96.81 3.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.894 0.378 . . . . 0.0 110.673 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.529 HH11 ' CD ' ' B' ' 149' ' ' GLN . 29.7 ttm-85 -101.62 112.57 25.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.248 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 15.5 mt -92.62 132.31 36.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.722 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . 0.475 HG22 ' SG ' ' A' ' 31' ' ' CYS . 1.6 mt -127.3 143.66 39.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.457 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . 0.422 ' O ' ' HB3' ' B' ' 146' ' ' ALA . 60.7 t80 -149.17 105.41 3.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.713 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' B' ' 145' ' ' PHE . . . 65.56 70.57 0.44 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.78 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 39.9 44.82 2.79 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -150.07 120.15 7.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.837 0.351 . . . . 0.0 110.652 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . 0.529 ' CD ' HH11 ' B' ' 142' ' ' ARG . 8.0 tt0 -80.45 124.33 28.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.988 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 10.3 mt -75.98 139.37 41.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.952 0.406 . . . . 0.0 110.847 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -79.32 160.44 26.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.626 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.11 -24.13 24.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.719 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -100.42 40.65 2.36 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -139.52 172.5 12.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.702 0.287 . . . . 0.0 110.373 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 11.6 p -109.86 168.33 9.5 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.738 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . 0.435 ' CD1' HG21 ' B' ' 117' ' ' VAL . 81.9 mt -65.33 -35.8 82.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.744 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' B' ' 119' ' ' PRO . 5.0 p -60.42 -44.38 95.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.601 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -48.3 -39.91 23.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.689 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -90.42 21.15 4.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.54 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 45.13 33.39 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 80.8 mt -80.12 110.82 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.37 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -82.57 -161.46 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.73 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -85.71 156.05 20.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 57.26 31.64 20.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.903 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 70.4 m -81.64 140.51 34.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.52 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 5.4 m -91.75 96.07 10.22 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.493 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.2 mt -85.68 124.53 32.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.654 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 168' ' ' HIS . . . . . 0.583 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.4 OUTLIER -79.35 100.46 7.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.383 179.761 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 64.0 tp -81.68 145.33 30.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 0.0 110.749 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . 0.4 ' CG2' HD13 ' A' ' 36' ' ' LEU . 2.6 t -145.35 154.99 13.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.198 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.599 HD12 ' N ' ' B' ' 171' ' ' LEU . 7.6 mp -94.09 106.34 18.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.441 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -59.17 106.83 0.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.561 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . 0.515 HD13 ' CD1' ' A' ' 43' ' ' PHE . 17.5 mt -81.31 103.9 11.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.478 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 16.0 ptt-85 -44.05 143.37 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.736 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 155.0 -154.87 25.83 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . 0.519 ' N ' ' OH ' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 201' ' ' MET . . . . . 0.522 ' N ' ' O ' ' C' ' 217' ' ' VAL . 26.6 ttp . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 202' ' ' GLN . . . . . 0.544 HE22 ' CD ' ' C' ' 216' ' ' GLU . 4.4 mp0 -68.92 130.51 42.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.485 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 11.9 pt -136.05 142.14 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.345 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -94.03 138.55 31.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.784 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 31.9 t -121.89 105.19 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.998 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -82.0 157.05 24.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.681 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 23.7 p -125.88 -174.71 3.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.442 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 208' ' ' LEU . . . . . 0.895 ' H ' HD22 ' C' ' 208' ' ' LEU . 0.8 OUTLIER -79.86 -25.01 40.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.399 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 8.9 p -82.52 2.8 31.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.581 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 84.62 3.84 88.0 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -76.15 162.31 28.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.732 0.301 . . . . 0.0 110.546 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 9.8 m -138.31 151.76 47.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.529 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -138.25 132.86 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.895 0.379 . . . . 0.0 110.646 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 63.8 m -99.24 98.09 9.1 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.42 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 215' ' ' LEU . . . . . 0.517 ' N ' HD12 ' C' ' 215' ' ' LEU . 10.7 mp -99.02 136.79 38.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.711 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 216' ' ' GLU . . . . . 0.544 ' CD ' HE22 ' C' ' 202' ' ' GLN . 81.6 tt0 -93.38 123.8 36.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.09 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 217' ' ' VAL . . . . . 0.522 ' O ' ' N ' ' C' ' 201' ' ' MET . 27.0 m -148.7 -161.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.929 0.395 . . . . 0.0 110.977 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 218' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -139.46 176.52 2.53 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.69 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.16 -26.9 10.22 Favored 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.463 2.108 . . . . 0.0 112.294 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 3.0 p -82.51 -27.04 31.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.821 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 221' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -44.66 135.1 5.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.64 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 60.5 p -85.74 143.84 28.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.82 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 19.9 mm -46.47 -58.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.488 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -44.5 -38.1 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.54 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 225' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -65.48 -41.43 93.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.139 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 42.3 t -61.99 -51.99 65.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.979 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -52.7 -32.03 40.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.962 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -68.17 -41.13 81.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.195 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -62.71 -42.27 99.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.267 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 60.4 mt -64.3 -46.48 93.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.232 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 231' ' ' GLN . . . . . 0.426 ' O ' ' OE1' ' C' ' 231' ' ' GLN . 0.6 OUTLIER -56.09 -31.66 63.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.378 179.802 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -75.96 -25.32 55.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.463 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 18.9 mmtm -80.58 -62.25 1.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.513 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -87.56 -108.06 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.56 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -171.93 28.23 0.1 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 236' ' ' ILE . . . . . 0.428 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 38.6 mt -95.48 111.91 57.01 Favored Pre-proline 0 C--N 1.329 -0.294 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -64.26 147.91 91.07 Favored 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 121.517 1.478 . . . . 0.0 111.399 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -48.59 -50.6 12.02 Favored 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 122.196 1.93 . . . . 0.0 111.863 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -53.24 -15.9 1.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.559 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 240' ' ' GLN . . . . . 0.57 HE22 ' H ' ' C' ' 274' ' ' ARG . 36.4 mm-40 -118.47 42.82 2.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.459 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 241' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 67.0 mt-30 -134.51 156.42 48.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.464 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 242' ' ' ARG . . . . . 0.609 HH22 ' NE ' ' C' ' 272' ' ' ARG . 0.2 OUTLIER -166.62 105.04 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.979 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 243' ' ' LEU . . . . . 0.54 HD12 ' N ' ' C' ' 243' ' ' LEU . 6.6 mp -90.3 128.37 36.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.119 0.485 . . . . 0.0 111.183 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.8 mt -125.53 120.02 56.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.283 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 245' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -109.74 71.4 0.76 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.847 0.356 . . . . 0.0 110.909 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 61.18 86.63 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.727 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 247' ' ' GLY . . . . . 0.707 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 56.39 32.31 60.58 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -138.84 88.15 2.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 110.611 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 249' ' ' GLN . . . . . 0.567 ' CD ' ' HE ' ' C' ' 242' ' ' ARG . 12.1 tt0 -74.49 85.88 2.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.026 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 8.9 mt -43.65 137.08 3.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -89.66 158.34 17.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.226 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.85 -1.39 43.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.846 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 253' ' ' GLY . . . . . 0.482 ' O ' ' NE ' ' C' ' 254' ' ' ARG . . . -122.98 37.64 2.74 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 254' ' ' ARG . . . . . 0.482 ' NE ' ' O ' ' C' ' 253' ' ' GLY . 0.0 OUTLIER -134.82 -174.77 3.69 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 255' ' ' THR . . . . . 0.46 ' C ' ' H ' ' C' ' 257' ' ' SER . 41.6 p -127.33 157.17 40.62 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.635 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 256' ' ' LEU . . . . . 0.419 ' CD1' HG21 ' C' ' 217' ' ' VAL . 96.0 mt -58.81 -3.99 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.553 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 257' ' ' SER . . . . . 0.46 ' H ' ' C ' ' C' ' 255' ' ' THR . 11.4 t -94.39 -27.85 15.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.654 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -73.31 12.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.622 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 259' ' ' TYR . . . . . 0.431 ' H ' ' C ' ' C' ' 257' ' ' SER . 69.2 m-85 -140.57 5.78 2.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.521 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 57.12 32.43 21.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.693 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 85.0 mt -77.02 95.83 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.449 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -76.19 -157.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.767 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 10.2 pttm -84.65 160.9 20.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.786 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 56.96 31.51 19.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.804 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 47.7 m -86.66 133.61 33.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.569 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 10.7 m -90.48 101.19 13.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.434 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 10.5 mt -89.03 121.95 31.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.641 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 268' ' ' HIS . . . . . 0.66 ' ND1' ' N ' ' C' ' 268' ' ' HIS . 0.1 OUTLIER -77.2 99.16 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.913 179.563 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 51.6 tp -79.27 133.8 36.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.865 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 270' ' ' VAL . . . . . 0.438 ' C ' HD22 ' C' ' 271' ' ' LEU . 2.2 t -137.31 164.69 28.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.128 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 271' ' ' LEU . . . . . 0.904 HD22 ' N ' ' C' ' 271' ' ' LEU . 1.1 mm? -104.37 116.29 31.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.42 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 272' ' ' ARG . . . . . 0.609 ' NE ' HH22 ' C' ' 242' ' ' ARG . 48.7 ttt180 -69.97 71.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.459 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 273' ' ' LEU . . . . . 0.429 HD21 HH21 ' D' ' 340' ' ' ARG . 48.4 mt -43.14 118.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.552 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 274' ' ' ARG . . . . . 0.57 ' H ' HE22 ' C' ' 240' ' ' GLN . 25.3 ptt180 -67.09 163.93 19.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.547 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . -176.96 -111.98 0.3 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 15.8 t . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.496 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.573 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -157.03 84.07 0.94 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.845 0.355 . . . . 0.0 110.513 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 311' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' D' ' 312' ' ' LYS . 32.9 ttmt -82.32 56.81 3.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.551 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 312' ' ' LYS . . . . . 0.431 ' N ' ' CD ' ' D' ' 312' ' ' LYS . 0.7 OUTLIER 43.25 -168.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.574 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -134.75 140.86 46.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.551 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -81.95 92.98 6.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.605 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 14.6 mt -89.11 42.23 1.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.464 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 59.9 m -76.6 12.99 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.67 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 29.1 pttt -163.29 84.58 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.944 0.402 . . . . 0.0 110.687 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -138.91 164.76 28.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.267 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -106.93 163.02 13.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.606 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -66.15 -47.77 72.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.418 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 321' ' ' ALA . . . . . 0.425 ' O ' ' OD2' ' D' ' 325' ' ' ASP . . . -62.4 -35.26 78.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.519 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -67.05 -55.42 14.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.611 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.484 HD21 ' CD ' ' D' ' 342' ' ' GLU . 13.0 mt -54.76 -54.41 42.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.52 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 324' ' ' ARG . . . . . 0.426 ' NH1' HD21 ' D' ' 328' ' ' ASN . 0.7 OUTLIER -54.34 -50.22 67.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.467 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 325' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' D' ' 329' ' ' THR . 23.4 m-20 -59.23 -48.61 80.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.371 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 326' ' ' THR . . . . . 0.488 ' O ' ' N ' ' D' ' 330' ' ' SER . 8.4 m -51.78 -43.62 63.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.545 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 83.7 mt -76.47 -24.71 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.692 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 328' ' ' ASN . . . . . 0.426 HD21 ' NH1' ' D' ' 324' ' ' ARG . 2.2 m-80 -98.53 2.21 47.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.508 ' N ' ' O ' ' D' ' 325' ' ' ASP . 81.7 p -137.31 -41.66 0.57 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.684 0.278 . . . . 0.0 111.158 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 330' ' ' SER . . . . . 0.488 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.4 OUTLIER -77.79 169.75 17.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.032 0.444 . . . . 0.0 111.144 -179.321 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 331' ' ' CYS . . . . . 0.707 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 27.9 p -147.27 89.33 1.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.514 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -163.1 99.55 0.96 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.346 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 1.9 mt -38.78 -43.28 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.775 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -56.09 -58.97 5.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.314 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.92 -52.14 66.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.183 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 27.5 mt -50.41 -47.25 56.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.472 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -59.22 -49.16 78.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.427 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.37 -43.84 93.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.538 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 339' ' ' CYS . . . . . . . . . . . . . 94.7 m -58.49 -49.61 76.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.54 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 340' ' ' ARG . . . . . 0.593 ' NH2' ' NE2' ' D' ' 344' ' ' HIS . 19.4 mtp-105 -64.61 -35.17 80.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.511 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -59.26 -56.38 22.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.255 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 342' ' ' GLU . . . . . 0.484 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.8 pt-20 -63.14 -35.03 78.94 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.249 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -58.02 -55.85 29.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.087 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 344' ' ' HIS . . . . . 0.593 ' NE2' ' NH2' ' D' ' 340' ' ' ARG . 11.5 m-70 -58.78 -46.15 88.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.2 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 345' ' ' ARG . . . . . 0.52 ' O ' ' N ' ' D' ' 349' ' ' VAL . 0.0 OUTLIER -52.63 -40.13 62.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.106 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 10.1 mtp85 -66.35 -43.6 85.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.487 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' D' ' 347' ' ' LEU . 4.3 mm? -76.79 -23.08 52.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.199 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 348' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' D' ' 344' ' ' HIS . 48.0 mmtt -93.65 -21.81 19.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.452 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 349' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' D' ' 345' ' ' ARG . 6.2 t -134.2 112.58 16.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.524 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 350' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -79.53 56.19 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.591 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 351' ' ' HIS . . . . . . . . . . . . . 7.4 t60 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.536 -179.948 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.711 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.8 t -148.6 35.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.068 0.461 . . . . 0.0 110.428 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -167.99 101.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.467 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -71.65 -165.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.552 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -131.81 174.52 10.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.438 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -126.13 92.93 3.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.497 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.5 mt -97.1 44.6 1.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.476 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.0 p -85.38 11.62 9.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.9 pttp -165.53 82.69 0.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.641 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -130.24 175.91 8.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.288 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -117.64 163.82 15.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.646 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 15.6 t80 -62.12 -49.84 74.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.551 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.81 -44.17 96.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.703 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -56.15 -55.52 32.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.687 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.525 HD21 ' CD ' ' A' ' 42' ' ' GLU . 13.8 mt -57.75 -52.54 65.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.543 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.663 ' NH1' HD21 ' A' ' 28' ' ' ASN . 7.6 tpt85 -57.66 -42.71 84.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.438 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -64.21 -48.2 76.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.349 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.571 ' O ' ' N ' ' A' ' 30' ' ' SER . 25.7 m -54.28 -49.05 70.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.635 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.4 mt -71.58 -27.7 29.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.928 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.663 HD21 ' NH1' ' A' ' 24' ' ' ARG . 1.0 OUTLIER -87.41 -8.6 56.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.052 -179.567 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 64.5 p -127.45 -49.39 1.41 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.66 0.267 . . . . 0.0 111.148 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 26' ' ' THR . 2.0 t -60.72 167.61 2.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.971 0.415 . . . . 0.0 110.958 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.4 m -144.26 36.87 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.376 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.51 100.6 9.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.6 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.4 mt -42.22 -34.15 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.509 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -63.21 -56.02 20.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.177 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.492 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 9.1 mt -60.91 -41.04 95.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.085 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.0 mt -57.01 -43.31 81.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.447 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.18 -49.2 68.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.508 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.41 -45.34 93.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.537 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 73.2 m -59.82 -50.52 73.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.357 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 -60.26 -34.8 74.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.498 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -63.09 -58.28 7.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.738 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.525 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.7 pt-20 -59.5 -36.81 76.77 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.692 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.27 -45.17 94.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.383 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 47' ' ' LEU . 17.0 m170 -72.72 -54.98 7.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.392 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 86.0 mtt-85 -45.76 -48.82 15.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.608 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 67.0 mtt-85 -61.34 -20.76 63.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.688 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 44' ' ' HIS . 85.7 mt -97.4 -32.7 11.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.667 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -77.91 -29.67 50.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.662 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.413 ' O ' HG13 ' A' ' 49' ' ' VAL . 7.2 p -41.93 128.69 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.591 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 17.3 t80 69.21 67.58 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.457 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.576 179.938 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.542 ' N ' ' O ' ' B' ' 117' ' ' VAL . 28.4 ttp . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . 0.404 ' N ' ' CG ' ' B' ' 101' ' ' MET . 34.1 tt0 -126.62 127.76 45.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.424 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.562 HD12 ' CD1' ' B' ' 167' ' ' LEU . 13.8 pt -127.37 151.94 34.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.682 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -102.99 147.72 26.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.567 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 22.5 t -128.34 106.99 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.344 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -97.22 128.58 44.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.439 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 24.5 p -88.65 -165.17 1.26 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.52 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.967 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.5 OUTLIER -83.08 -19.24 37.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 19.0 p -88.12 -5.47 58.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.497 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.01 9.32 62.41 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -79.71 122.7 26.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 110.486 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 19.2 m -99.81 144.91 28.33 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.621 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -133.71 123.8 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.396 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . 0.403 ' C ' HD12 ' B' ' 115' ' ' LEU . 5.8 m -88.29 101.67 14.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.597 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.448 HD12 ' N ' ' B' ' 115' ' ' LEU . 11.1 mp -104.46 132.09 51.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.65 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -88.14 125.14 34.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.078 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' B' ' 101' ' ' MET . 11.7 m -147.16 -170.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.944 0.402 . . . . 0.0 110.886 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.431 ' N ' ' OD2' ' B' ' 121' ' ' ASP . 13.9 mp0 -139.2 146.94 51.22 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.892 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -47.18 -30.8 11.13 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 122.382 2.055 . . . . 0.0 112.454 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.5 p -87.19 18.17 3.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.193 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . 0.431 ' OD2' ' N ' ' B' ' 118' ' ' GLU . 55.9 m-20 -92.59 136.26 33.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 0.0 110.356 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . 0.528 ' OG1' ' ND2' ' B' ' 125' ' ' ASN . 3.7 p -82.61 138.62 34.15 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.945 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 35.2 mm -46.71 -37.24 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.258 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -58.09 -46.81 84.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.039 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.528 ' ND2' ' OG1' ' B' ' 122' ' ' THR . 60.5 m-80 -60.06 -36.01 76.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.069 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 26.7 t -64.61 -46.7 91.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.165 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -55.64 -36.81 67.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.038 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.55 -40.48 89.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.239 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -60.86 -41.74 96.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.361 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 52.1 mt -66.63 -44.84 89.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.334 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . 0.403 ' OE1' ' C ' ' B' ' 131' ' ' GLN . 0.9 OUTLIER -55.5 -33.2 63.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.386 179.885 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -74.75 -35.42 62.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.492 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -70.35 -61.89 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -87.35 -106.0 0.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.531 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -173.71 9.45 0.03 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.416 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 42.7 mt -79.71 116.18 59.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.96 152.32 75.87 Favored 'Trans proline' 0 C--N 1.314 -1.251 0 C-N-CA 121.553 1.502 . . . . 0.0 111.588 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.478 ' O ' ' N ' ' B' ' 140' ' ' GLN . 2.6 Cg_endo -47.83 -62.52 0.43 Allowed 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.433 2.088 . . . . 0.0 111.885 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -44.83 -17.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.718 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' B' ' 138' ' ' PRO . 26.0 mt-30 -110.98 35.65 3.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.669 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' B' ' 138' ' ' PRO . 70.4 mt-30 -134.43 148.24 50.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.559 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.529 HH12 ' CG ' ' A' ' 28' ' ' ASN . 22.5 ttt180 -159.63 115.08 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.25 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.2 mt -95.51 138.26 33.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.6 mt -127.39 141.24 46.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.296 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -162.88 152.55 15.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.633 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 58.73 20.81 8.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.06 23.77 70.81 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -145.78 147.22 31.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.815 0.34 . . . . 0.0 110.778 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . 0.521 ' NE2' ' O ' ' B' ' 150' ' ' LEU . 3.1 tm0? -79.5 136.57 36.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.212 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.521 ' O ' ' NE2' ' B' ' 149' ' ' GLN . 11.7 mt -81.47 139.64 35.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.845 0.355 . . . . 0.0 110.891 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . 0.418 ' OE2' ' OD1' ' C' ' 260' ' ' ASN . 22.3 mm-40 -80.69 160.4 25.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.572 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' B' ' 152' ' ' ASP . 0.0 OUTLIER -86.6 -15.97 38.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.659 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -107.05 36.94 4.08 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 20.7 mmt-85 -139.71 169.13 18.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.671 0.272 . . . . 0.0 110.396 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 18.8 p -110.15 162.11 14.91 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.723 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 43.4 mt -60.24 -27.61 67.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.739 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 15.8 p -68.31 -42.56 79.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.798 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -52.73 -32.94 45.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.708 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -91.16 2.89 56.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.731 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' B' ' 160' ' ' ASN . 1.7 t30 62.15 26.65 16.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.666 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 71.1 mt -72.95 112.01 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.464 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -91.16 -169.03 2.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.612 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . 0.442 ' HD3' ' H ' ' B' ' 163' ' ' ARG . 0.0 OUTLIER -73.27 155.96 38.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.735 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 61.29 32.82 19.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.815 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 38.2 m -88.98 130.99 35.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.597 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 21.0 m -88.49 111.25 21.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.613 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . 0.562 ' CD1' HD12 ' B' ' 103' ' ' ILE . 4.9 mt -100.62 131.05 46.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.604 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 168' ' ' HIS . . . . . 0.667 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -84.86 112.95 21.0 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.817 0.341 . . . . 0.0 110.216 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 43.0 tp -89.93 131.46 35.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.416 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.27 140.33 43.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.324 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.637 HD12 ' N ' ' B' ' 171' ' ' LEU . 8.3 mp -77.05 104.56 7.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.527 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -63.04 95.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.516 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . 0.404 ' H ' ' HG ' ' B' ' 173' ' ' LEU . 29.1 mt -59.55 125.15 22.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.488 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 13.9 ttp-105 -44.4 139.85 2.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.579 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 167.6 124.2 0.71 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.637 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 201' ' ' MET . . . . . 0.537 ' N ' ' O ' ' C' ' 217' ' ' VAL . 31.7 ttp . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -67.49 123.74 21.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.625 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 17.9 pt -132.1 149.51 32.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.577 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -100.66 146.38 27.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.744 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 98.5 t -134.36 105.0 6.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.215 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -83.44 137.33 33.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.952 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 33.0 p -95.44 -167.29 1.59 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.425 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 208' ' ' LEU . . . . . 0.968 ' H ' HD22 ' C' ' 208' ' ' LEU . 0.3 OUTLIER -88.48 21.75 2.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.485 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 5.4 p -136.53 9.88 3.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.506 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 89.6 -31.41 5.23 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -46.16 135.14 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.347 . . . . 0.0 110.526 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 33.8 m -115.1 126.18 54.36 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.597 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 213' ' ' ILE . . . . . 0.408 HG21 HD13 ' C' ' 213' ' ' ILE . 1.5 mt -106.96 125.05 63.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.635 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 8.8 m -95.45 118.66 32.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.091 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 19.2 mt -128.35 136.31 50.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.941 0.401 . . . . 0.0 110.897 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -88.91 131.49 35.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.051 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 217' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' C' ' 201' ' ' MET . 33.4 m -149.37 -168.84 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 0.0 110.851 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 218' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -141.12 147.44 47.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.89 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.46 -28.38 8.59 Favored 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.406 2.071 . . . . 0.0 112.489 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.61 8.63 18.76 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.149 -179.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 221' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -83.23 135.24 34.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.809 0.338 . . . . 0.0 110.384 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 9.1 p -84.37 138.07 33.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.881 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 23.4 mm -45.42 -48.24 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.294 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -51.67 -37.74 51.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.117 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 225' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -64.79 -43.0 94.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.007 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 18.5 t -60.83 -38.31 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.926 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -62.02 -39.77 93.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.134 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -62.33 -44.97 95.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.131 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -59.47 -42.85 93.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.191 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 32.9 mt -64.24 -29.35 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.224 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -68.26 -41.21 81.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.141 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -67.91 -26.88 66.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.368 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm -80.14 -61.83 1.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.56 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -87.12 -99.48 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.588 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 172.98 13.05 0.02 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 236' ' ' ILE . . . . . 0.516 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 55.1 mt -82.93 129.01 63.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -55.77 145.78 70.04 Favored 'Trans proline' 0 N--CA 1.489 1.256 0 C-N-CA 121.621 1.547 . . . . 0.0 111.615 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -52.25 -32.77 52.15 Favored 'Trans proline' 0 C--N 1.311 -1.422 0 C-N-CA 122.108 1.872 . . . . 0.0 111.876 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 239' ' ' ASP . . . . . 0.482 ' C ' ' H ' ' C' ' 241' ' ' GLN . 2.5 m-20 -69.02 -52.3 30.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.71 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 240' ' ' GLN . . . . . 0.499 ' OE1' ' N ' ' C' ' 240' ' ' GLN . 1.7 mp0 -72.13 37.48 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.687 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 241' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 69.9 mt-30 -134.77 157.98 45.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.971 0.415 . . . . 0.0 110.821 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 242' ' ' ARG . . . . . 0.416 ' O ' HD12 ' C' ' 269' ' ' LEU . 21.5 ttm180 -170.27 154.45 4.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.953 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 15.0 mt -129.73 142.98 50.61 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.143 0.497 . . . . 0.0 111.405 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.8 mt -128.67 134.57 64.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.823 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 245' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -119.51 74.08 0.99 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.858 0.361 . . . . 0.0 110.993 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 246' ' ' ALA . . . . . 0.653 ' H ' ' HE2' ' C' ' 268' ' ' HIS . . . 55.23 87.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.059 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 247' ' ' GLY . . . . . 0.71 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 55.8 38.43 73.38 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -150.96 91.68 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.704 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -71.18 122.99 21.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.054 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 9.2 mt -84.18 131.47 34.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 110.859 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -82.53 161.04 22.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.582 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.9 -22.26 56.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -103.56 41.48 2.12 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -139.62 175.19 9.78 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 31.1 p -117.72 165.53 13.51 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.701 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.17 -17.68 64.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.763 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 257' ' ' SER . . . . . 0.496 ' C ' ' H ' ' C' ' 259' ' ' TYR . 61.5 p -79.16 -30.6 43.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.625 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -69.82 13.21 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.582 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 259' ' ' TYR . . . . . 0.539 ' C ' HD22 ' C' ' 260' ' ' ASN . 82.3 m-85 -140.65 8.67 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.649 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 260' ' ' ASN . . . . . 0.539 HD22 ' C ' ' C' ' 259' ' ' TYR . 0.7 OUTLIER 56.19 31.87 19.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.61 179.865 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 79.6 mt -79.6 95.36 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.512 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -77.79 -157.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.567 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -81.82 162.15 22.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.692 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 55.51 37.96 29.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.8 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 39.4 m -95.96 131.0 42.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.542 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 7.6 m -92.98 112.83 24.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.553 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 6.6 mt -103.65 150.05 24.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.585 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 268' ' ' HIS . . . . . 0.696 ' ND1' ' N ' ' C' ' 268' ' ' HIS . 0.0 OUTLIER -98.52 113.54 25.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.134 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 269' ' ' LEU . . . . . 0.416 HD12 ' O ' ' C' ' 242' ' ' ARG . 35.7 tp -85.41 127.63 34.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.234 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 270' ' ' VAL . . . . . 0.627 HG13 ' CZ ' ' D' ' 340' ' ' ARG . 2.5 t -128.76 155.08 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.564 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 271' ' ' LEU . . . . . . . . . . . . . 12.9 mt -95.9 98.35 10.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.489 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -49.25 117.63 2.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.589 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 273' ' ' LEU . . . . . 0.508 HD13 ' CD1' ' D' ' 343' ' ' PHE . 20.5 mt -98.24 106.34 18.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.46 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -124.97 23.25 7.86 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.38 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 275' ' ' GLY . . . . . 0.415 ' O ' ' OXT' ' C' ' 276' ' ' CYS . . . 74.43 156.89 5.05 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 276' ' ' CYS . . . . . 0.415 ' OXT' ' O ' ' C' ' 275' ' ' GLY . 9.4 t . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.574 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.633 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 17.5 p -79.32 79.54 5.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.849 0.357 . . . . 0.0 110.571 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 311' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' D' ' 312' ' ' LYS . 86.2 mttt -82.62 88.4 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.629 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 312' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' D' ' 311' ' ' LYS . 1.0 OUTLIER 44.06 -171.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.596 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -103.47 134.75 46.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.475 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 314' ' ' ASP . . . . . 0.492 ' N ' ' OD1' ' D' ' 314' ' ' ASP . 17.1 p-10 -79.06 93.01 5.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.412 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 15.0 mt -110.84 39.95 2.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.585 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 81.2 p -96.05 18.74 12.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.792 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -138.86 3.68 2.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.774 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -75.47 -177.39 3.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.676 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -132.79 167.66 19.76 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.482 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 320' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' D' ' 320' ' ' TYR . 7.3 t80 -58.13 -48.17 81.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.662 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -59.52 -46.52 88.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.02 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -61.36 -53.74 52.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.105 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.563 HD21 ' CD ' ' D' ' 342' ' ' GLU . 16.3 mt -59.96 -52.55 64.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.041 -179.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 324' ' ' ARG . . . . . 0.433 ' O ' ' ND2' ' D' ' 328' ' ' ASN . 1.2 tpt180 -52.82 -44.8 66.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.453 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 325' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' D' ' 329' ' ' THR . 25.9 t70 -63.77 -48.04 78.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.344 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 326' ' ' THR . . . . . 0.52 ' O ' ' N ' ' D' ' 330' ' ' SER . 3.7 m -52.92 -41.51 64.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.565 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 327' ' ' ILE . . . . . 0.417 HD11 ' CB ' ' D' ' 339' ' ' CYS . 94.8 mt -75.68 -30.22 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.515 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 328' ' ' ASN . . . . . 0.614 HD22 ' N ' ' D' ' 328' ' ' ASN . 0.9 OUTLIER -92.24 -0.45 57.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.926 -179.794 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.463 ' N ' ' O ' ' D' ' 325' ' ' ASP . 82.5 p -131.79 -46.8 0.95 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.072 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 330' ' ' SER . . . . . 0.52 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.4 OUTLIER -74.34 157.03 36.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.014 0.435 . . . . 0.0 111.141 -179.366 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 331' ' ' CYS . . . . . 0.71 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 25.4 p -135.92 88.08 2.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.527 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -162.27 99.15 1.05 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.999 0.428 . . . . 0.0 110.48 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . 0.415 ' H ' HG13 ' D' ' 333' ' ' ILE . 9.8 mt -38.93 -31.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.771 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -67.8 -59.94 2.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.505 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 3.9 mt -61.84 -49.59 75.68 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 336' ' ' LEU . . . . . 0.673 ' CB ' HH22 ' D' ' 340' ' ' ARG . 49.8 mt -50.55 -55.01 18.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.088 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 337' ' ' ALA . . . . . 0.465 ' N ' ' NH2' ' D' ' 340' ' ' ARG . . . -55.34 -44.72 76.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.038 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -56.71 -39.72 74.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.729 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 339' ' ' CYS . . . . . 0.417 ' CB ' HD11 ' D' ' 327' ' ' ILE . 24.2 m -60.05 -53.45 57.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.798 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 340' ' ' ARG . . . . . 0.687 HH21 HD12 ' C' ' 208' ' ' LEU . 0.1 OUTLIER -51.12 -46.17 61.82 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.014 179.445 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -55.11 -60.54 3.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.141 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 342' ' ' GLU . . . . . 0.563 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.8 pt-20 -66.01 -39.86 90.61 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.885 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 343' ' ' PHE . . . . . 0.508 ' CD1' HD13 ' C' ' 273' ' ' LEU . 12.5 t80 -62.02 -33.08 73.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.421 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -81.79 -48.23 11.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.115 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 345' ' ' ARG . . . . . 0.669 ' O ' HG12 ' D' ' 349' ' ' VAL . 1.1 ttt180 -51.13 -41.36 60.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.998 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 -58.08 -34.06 69.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.503 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 14.7 mt -78.73 -58.9 3.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.411 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 348' ' ' LYS . . . . . 0.418 ' HB3' ' HZ2' ' D' ' 348' ' ' LYS . 5.2 mtpm? -48.15 -51.53 24.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.38 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 349' ' ' VAL . . . . . 0.899 HG22 ' H ' ' D' ' 350' ' ' TYR . 6.3 p -68.13 -144.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.236 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 350' ' ' TYR . . . . . 0.899 ' H ' HG22 ' D' ' 349' ' ' VAL . 0.5 OUTLIER -157.91 129.29 6.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.741 0.305 . . . . 0.0 110.412 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 351' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.57 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . . . . . . 0 CA--C 1.526 0.728 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.2 p -46.39 93.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.373 . . . . 0.0 110.516 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 9' ' ' GLY . 14.4 pttp -84.41 115.38 22.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.54 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.502 ' C ' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -153.94 157.79 39.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.485 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.54 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -99.29 134.26 42.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.582 -179.877 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -79.09 92.9 5.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.565 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.452 HD13 ' OE1' ' A' ' 42' ' ' GLU . 16.8 mt -95.8 44.42 1.08 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.368 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.6 t -82.62 14.3 3.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.735 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 pttp -170.55 84.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.757 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -133.04 162.72 30.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.159 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -106.37 161.59 14.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.691 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.426 ' OH ' ' N ' ' B' ' 176' ' ' GLY . 18.8 t80 -59.35 -50.91 72.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.41 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.77 -47.74 79.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.761 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -55.27 -58.2 8.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.8 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.576 HD21 ' CD ' ' A' ' 42' ' ' GLU . 15.3 mt -53.31 -58.84 5.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.604 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.528 HH12 ' C ' ' B' ' 173' ' ' LEU . 10.5 tpt180 -53.01 -51.67 60.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.508 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 29' ' ' THR . 7.7 m-20 -55.46 -50.03 70.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.522 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.612 ' O ' ' N ' ' A' ' 30' ' ' SER . 14.9 m -52.38 -54.08 36.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.821 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.401 HG12 HD23 ' A' ' 36' ' ' LEU . 78.1 mt -64.93 -24.15 34.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.683 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.715 HD21 HH12 ' B' ' 142' ' ' ARG . 0.8 OUTLIER -92.4 -9.77 40.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.346 -179.331 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 25' ' ' ASP . 18.9 p -130.44 -3.93 4.29 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.972 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.612 ' N ' ' O ' ' A' ' 26' ' ' THR . 4.3 t -116.17 150.54 37.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.067 0.461 . . . . 0.0 110.953 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.4 p -122.94 18.0 10.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.103 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -79.26 95.88 5.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.813 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.444 ' N ' HD13 ' A' ' 33' ' ' ILE . 4.9 mm -42.29 -39.74 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.534 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.645 ' CD ' ' H ' ' A' ' 34' ' ' GLU . 5.6 mp0 -57.89 -58.75 7.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.26 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.485 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 12.8 mt -58.55 -39.81 81.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.314 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.469 HD13 HG21 ' B' ' 170' ' ' VAL . 90.8 mt -56.14 -43.26 78.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.358 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.96 -49.16 54.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.518 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.31 -46.52 89.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.449 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 72.3 m -59.32 -53.24 60.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.178 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.6 mtp85 -53.96 -39.88 66.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.328 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -60.21 -57.81 11.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.61 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.576 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.2 pt-20 -62.58 -36.12 81.7 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.458 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.427 ' O ' HD23 ' A' ' 47' ' ' LEU . 3.5 t80 -62.63 -38.9 92.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.133 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -68.83 -47.7 65.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.256 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.542 ' O ' ' N ' ' A' ' 49' ' ' VAL . 47.6 mtm180 -54.01 -51.14 64.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.511 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.4 mtp85 -55.95 -26.89 49.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.742 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 43' ' ' PHE . 3.4 mm? -86.72 -58.53 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.457 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.437 ' C ' ' H ' ' A' ' 50' ' ' TYR . 53.2 mttm -69.72 -46.0 66.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.755 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.542 ' N ' ' O ' ' A' ' 45' ' ' ARG . 3.5 t 63.32 1.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.515 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.519 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 2.7 m-85 -87.98 74.97 8.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.301 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 50' ' ' TYR . 76.0 m80 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.495 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.539 ' N ' ' O ' ' B' ' 117' ' ' VAL . 35.1 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -106.76 137.85 44.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.5 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 20.4 pt -144.6 152.34 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.618 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -102.28 158.17 16.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.723 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 97.3 t -144.63 111.33 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.393 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -92.52 133.78 35.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.705 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 50.1 p -84.01 -145.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.314 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.865 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.9 OUTLIER -83.59 -57.89 3.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.468 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 17.6 p -59.95 -44.99 94.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.672 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 149.82 -15.13 1.05 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -44.68 124.85 4.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.795 0.331 . . . . 0.0 110.518 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 17.0 m -103.9 147.79 26.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.677 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 4.9 mt -133.31 129.99 57.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.471 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 10.2 m -98.23 120.32 38.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.501 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 23.3 mt -118.08 134.75 54.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.642 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -94.63 79.41 3.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.351 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' B' ' 101' ' ' MET . 8.1 m -100.32 -167.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.831 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.516 ' OE1' ' N ' ' B' ' 101' ' ' MET . 9.9 mm-40 -143.23 150.77 53.23 Favored Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.891 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.56 -39.19 22.59 Favored 'Trans proline' 0 C--N 1.309 -1.529 0 C-N-CA 122.581 2.187 . . . . 0.0 112.619 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 2.5 p -82.55 22.81 0.83 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.347 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . 0.495 ' OD2' ' N ' ' B' ' 118' ' ' GLU . 25.5 m-20 -96.46 133.14 41.27 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.318 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 7.5 p -80.77 133.75 35.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . 0.404 HG22 ' NZ ' ' B' ' 127' ' ' LYS . 34.4 mm -41.97 -48.88 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.404 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -51.04 -43.29 60.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.193 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.527 HD22 ' C ' ' B' ' 125' ' ' ASN . 0.1 OUTLIER -60.25 -39.5 86.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.053 179.491 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 14.7 t -62.4 -43.81 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.913 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . 0.404 ' NZ ' HG22 ' B' ' 123' ' ' ILE . 41.5 mttp -56.32 -40.29 74.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.039 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.98 98.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.348 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -60.76 -45.14 95.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.435 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 15.3 mt -62.04 -47.58 92.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.375 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . 0.434 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.6 OUTLIER -54.32 -32.67 57.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.289 179.852 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -74.15 -27.59 60.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.485 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 45.0 mmtt -79.56 -63.83 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.482 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -84.65 -109.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.518 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -168.35 10.12 0.05 OUTLIER Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.542 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 36.2 mt -80.09 115.56 55.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -63.09 152.08 81.43 Favored 'Trans proline' 0 C--N 1.315 -1.218 0 C-N-CA 121.474 1.449 . . . . 0.0 111.584 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.522 ' O ' ' N ' ' B' ' 140' ' ' GLN . 2.6 Cg_endo -47.8 -66.93 0.12 Allowed 'Trans proline' 0 C--N 1.31 -1.458 0 C-N-CA 122.453 2.102 . . . . 0.0 111.93 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -43.58 -17.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' B' ' 138' ' ' PRO . 69.8 mt-30 -110.6 34.88 3.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.624 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.542 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 77.2 mt-30 -134.52 159.76 40.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.606 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.715 HH12 HD21 ' A' ' 28' ' ' ASN . 19.4 ttm180 -165.77 129.61 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.255 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 15.8 mt -107.86 128.95 55.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.096 0.474 . . . . 0.0 110.993 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.9 mt -125.32 125.05 68.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.257 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . 0.423 ' CG ' ' N ' ' B' ' 146' ' ' ALA . 88.4 t80 -139.62 159.45 42.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.435 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . 0.423 ' N ' ' CG ' ' B' ' 145' ' ' PHE . . . 46.02 28.88 0.68 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.618 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 65.91 36.61 92.33 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -150.8 137.19 18.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.757 0.313 . . . . 0.0 110.396 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -74.71 130.66 39.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.368 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 15.7 mt -82.93 138.03 33.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.934 0.397 . . . . 0.0 110.729 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.4 159.26 34.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.501 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.03 -18.59 30.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.727 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -105.81 37.68 3.69 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -139.52 167.47 22.01 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 11.6 p -106.82 161.92 14.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.908 0.385 . . . . 0.0 110.801 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . 0.406 ' CD1' HG21 ' B' ' 117' ' ' VAL . 81.0 mt -57.35 -41.01 79.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.675 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 48.3 t -55.12 -44.17 74.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -49.38 -38.2 27.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.738 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -89.94 18.86 5.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.622 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . 0.457 ' N ' ' OD1' ' B' ' 160' ' ' ASN . 1.3 m-20 49.16 30.01 2.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 89.9 mt -80.45 108.67 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.375 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -89.35 -156.76 0.42 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.753 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 6.0 ptp85 -80.83 159.91 24.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.831 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 60.26 35.05 20.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.856 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 19.8 m -95.01 122.36 37.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.464 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 21.8 m -95.35 111.96 23.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.504 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . 0.4 HD12 ' H ' ' B' ' 167' ' ' LEU . 3.7 mp -100.05 159.27 15.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.619 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 168' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -104.89 118.95 37.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.094 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . 0.4 HD12 ' O ' ' B' ' 142' ' ' ARG . 49.1 tp -92.74 134.47 35.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.036 -179.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . 0.469 HG21 HD13 ' A' ' 36' ' ' LEU . 2.4 t -134.81 139.87 46.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.995 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.584 HD12 ' N ' ' B' ' 171' ' ' LEU . 8.6 mp -74.58 110.03 8.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.828 0.347 . . . . 0.0 110.732 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' B' ' 173' ' ' LEU . 57.5 ttt180 -71.32 74.16 0.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.412 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . 0.528 ' C ' HH12 ' A' ' 24' ' ' ARG . 8.2 mt -41.82 164.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.744 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -71.57 125.95 28.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.54 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . -179.78 158.92 23.01 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . 0.426 ' N ' ' OH ' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.526 0.723 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 201' ' ' MET . . . . . 0.523 ' N ' ' O ' ' C' ' 217' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -91.17 115.1 27.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.591 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 20.9 pt -104.63 150.18 7.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.637 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -101.13 143.18 31.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.566 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 6.2 t -131.66 114.58 25.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.451 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 206' ' ' LYS . . . . . 0.469 ' HG3' ' HZ2' ' C' ' 206' ' ' LYS . 46.4 mttp -97.03 132.08 43.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.718 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 65.2 p -88.11 -154.79 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.412 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 208' ' ' LEU . . . . . 0.86 ' H ' HD22 ' C' ' 208' ' ' LEU . 1.1 mm? -78.16 -52.06 9.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 11.0 p -66.63 -1.45 3.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.596 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 87.23 26.51 30.65 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -81.99 113.61 20.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.549 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 8.8 m -85.06 149.5 25.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.633 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 3.0 mt -143.95 127.62 12.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 27.7 m -92.87 116.61 29.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.262 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 25.2 mt -121.93 128.65 51.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.839 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -79.44 122.4 26.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.253 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 217' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' C' ' 201' ' ' MET . 14.4 m -147.41 176.92 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.966 0.412 . . . . 0.0 110.833 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 218' ' ' GLU . . . . . 0.601 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 75.4 mt-10 -131.62 150.67 76.97 Favored Pre-proline 0 CA--C 1.53 0.202 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.912 179.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.38 -25.72 3.49 Favored 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 122.532 2.154 . . . . 0.0 112.451 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.2 p -90.86 11.57 22.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.087 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 221' ' ' ASP . . . . . 0.601 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 8.8 m-20 -83.45 134.52 34.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.859 0.361 . . . . 0.0 110.252 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 11.4 p -83.34 137.15 34.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 23.9 mm -45.25 -46.26 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.297 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -55.0 -35.58 64.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.111 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 225' ' ' ASN . . . . . 0.514 ' O ' ' HB3' ' C' ' 228' ' ' ALA . 13.8 t-20 -65.11 -48.91 71.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.024 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 22.1 t -56.29 -55.8 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.916 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 227' ' ' LYS . . . . . 0.427 ' CA ' HE22 ' C' ' 241' ' ' GLN . 46.0 mttm -47.64 -36.12 10.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.005 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 228' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' C' ' 225' ' ' ASN . . . -62.84 -45.14 93.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.003 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -59.89 -35.35 74.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.207 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 5.8 mt -70.39 -31.72 47.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.29 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -70.56 -27.85 64.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.322 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -80.5 -31.21 37.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.684 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -81.3 -57.46 3.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.71 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -88.7 -99.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.566 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 175.34 8.14 0.02 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 236' ' ' ILE . . . . . 0.427 ' O ' ' OE1' ' C' ' 241' ' ' GLN . 14.3 mt -80.17 115.93 57.96 Favored Pre-proline 0 C--N 1.329 -0.301 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.14 149.27 81.3 Favored 'Trans proline' 0 C--N 1.315 -1.211 0 C-N-CA 121.547 1.498 . . . . 0.0 111.7 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -50.51 -39.5 55.02 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.384 2.056 . . . . 0.0 111.983 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.41 -40.41 95.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.791 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -83.91 38.14 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.732 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 241' ' ' GLN . . . . . 0.427 HE22 ' CA ' ' C' ' 227' ' ' LYS . 33.6 mt-30 -134.66 153.85 51.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.715 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 242' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -156.33 95.87 1.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.851 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 243' ' ' LEU . . . . . 0.413 ' N ' HD12 ' C' ' 243' ' ' LEU . 7.9 mp -77.01 132.09 38.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.193 0.521 . . . . 0.0 110.968 -179.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.7 mt -135.24 118.06 22.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.21 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 245' ' ' PHE . . . . . 0.48 ' O ' ' HB3' ' C' ' 246' ' ' ALA . 65.3 t80 -107.92 73.9 0.92 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.667 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 246' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' C' ' 245' ' ' PHE . . . 69.27 88.11 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.54 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 247' ' ' GLY . . . . . 0.542 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 45.18 30.75 2.82 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -134.22 94.19 3.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.781 0.324 . . . . 0.0 110.568 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -74.51 119.85 19.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.228 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 11.0 mt -81.44 135.05 35.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.904 0.383 . . . . 0.0 110.827 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 251' ' ' GLU . . . . . 0.474 ' OE1' ' NH1' ' C' ' 254' ' ' ARG . 76.8 mt-10 -82.26 161.5 22.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.421 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.19 -22.77 41.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -102.62 41.44 2.13 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.324 -0.711 . . . . 0.0 111.324 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 254' ' ' ARG . . . . . 0.474 ' NH1' ' OE1' ' C' ' 251' ' ' GLU . 27.3 mmt-85 -139.62 176.07 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 33.9 p -117.96 165.97 13.08 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.853 0.359 . . . . 0.0 110.72 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.77 -35.91 81.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.714 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 257' ' ' SER . . . . . 0.489 ' C ' ' H ' ' C' ' 259' ' ' TYR . 19.1 t -65.49 -30.75 71.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.82 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -69.73 11.09 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.721 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 259' ' ' TYR . . . . . 0.489 ' H ' ' C ' ' C' ' 257' ' ' SER . 60.2 m-85 -140.59 14.16 2.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.478 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 21.3 m120 55.55 26.45 9.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.742 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 94.7 mt -77.75 102.78 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.494 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -81.62 -157.54 0.19 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.61 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -84.68 158.76 20.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.689 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 56.69 29.43 15.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.784 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 41.2 m -80.69 131.4 35.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.537 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 27.7 m -87.83 113.06 23.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.605 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 11.7 mt -100.69 154.16 18.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.445 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 268' ' ' HIS . . . . . 0.654 ' ND1' ' N ' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -113.0 100.17 8.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.24 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 269' ' ' LEU . . . . . 0.676 HD23 ' N ' ' C' ' 270' ' ' VAL . 6.4 tt -80.95 124.84 29.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.625 -179.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 270' ' ' VAL . . . . . 0.676 ' N ' HD23 ' C' ' 269' ' ' LEU . 4.6 t -116.28 148.57 18.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.649 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 271' ' ' LEU . . . . . 0.402 ' HB2' ' HE ' ' D' ' 340' ' ' ARG . 0.5 OUTLIER -84.59 95.53 8.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.2 179.653 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -50.19 137.4 17.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.487 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 273' ' ' LEU . . . . . 0.509 HD13 ' CD1' ' D' ' 343' ' ' PHE . 20.7 mt -117.13 170.09 8.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.529 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 -167.92 133.42 1.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.606 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . -81.31 -145.71 4.8 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 98.3 m . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.548 -180.0 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 309' ' ' GLY . . . . . 0.497 ' O ' ' NZ ' ' D' ' 312' ' ' LYS . . . . . . . . 0 CA--C 1.524 0.61 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 34.7 p -88.5 87.06 7.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 0.0 110.599 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 311' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -172.27 52.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.537 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 312' ' ' LYS . . . . . 0.497 ' NZ ' ' O ' ' D' ' 309' ' ' GLY . 11.8 mptt -68.17 166.41 16.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.442 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 313' ' ' TYR . . . . . 0.482 ' CD1' ' N ' ' D' ' 313' ' ' TYR . 0.5 OUTLIER -96.12 120.71 36.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.536 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.84 92.87 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.512 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 315' ' ' LEU . . . . . 0.46 HD13 ' OE1' ' D' ' 342' ' ' GLU . 11.0 mt -98.25 45.1 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.479 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 8.5 t -82.62 12.6 4.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.737 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -174.04 87.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 110.791 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -130.19 165.66 21.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.246 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 60.8 mmtt -105.06 163.71 12.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.736 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -63.9 -49.41 72.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.552 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -61.24 -39.62 91.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.655 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -61.67 -55.17 33.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.69 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.614 HD21 ' CD ' ' D' ' 342' ' ' GLU . 17.2 mt -56.67 -59.56 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.405 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 324' ' ' ARG . . . . . 0.518 ' O ' ' ND2' ' D' ' 328' ' ' ASN . 0.0 OUTLIER -53.14 -52.16 59.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.541 -179.876 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 325' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' D' ' 329' ' ' THR . 10.7 t70 -57.11 -49.08 77.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.596 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 326' ' ' THR . . . . . 0.549 ' O ' ' N ' ' D' ' 330' ' ' SER . 53.1 m -51.44 -48.7 62.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.654 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 327' ' ' ILE . . . . . 0.431 HG23 HD22 ' D' ' 336' ' ' LEU . 94.8 mt -69.35 -33.29 56.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.583 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 328' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' D' ' 324' ' ' ARG . 1.3 m-80 -87.06 -3.23 59.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.176 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.453 ' N ' ' O ' ' D' ' 325' ' ' ASP . 71.4 p -127.26 -16.09 5.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.869 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 330' ' ' SER . . . . . 0.549 ' N ' ' O ' ' D' ' 326' ' ' THR . 4.0 t -110.24 175.2 5.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.991 0.424 . . . . 0.0 110.95 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 331' ' ' CYS . . . . . 0.542 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 14.0 p -143.29 10.83 1.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.09 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 332' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' D' ' 333' ' ' ILE . 6.1 m-20 -72.09 92.06 1.3 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.493 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . 0.694 ' HA ' HD12 ' D' ' 336' ' ' LEU . 2.3 mt -38.38 -41.05 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.829 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -56.42 -57.18 13.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.137 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 10.9 mt -59.05 -43.06 91.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.912 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 336' ' ' LEU . . . . . 0.694 HD12 ' HA ' ' D' ' 333' ' ' ILE . 85.7 mt -52.2 -44.09 64.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.423 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -68.08 -49.21 62.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.596 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -60.02 -45.36 93.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.362 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 339' ' ' CYS . . . . . . . . . . . . . 90.2 m -59.03 -53.5 57.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.229 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 340' ' ' ARG . . . . . 0.402 ' HE ' ' HB2' ' C' ' 271' ' ' LEU . 14.9 mtp-105 -52.54 -42.77 64.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.276 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -58.33 -56.07 26.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 342' ' ' GLU . . . . . 0.614 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.5 pt-20 -69.92 -34.68 73.8 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.742 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 343' ' ' PHE . . . . . 0.509 ' CD1' HD13 ' C' ' 273' ' ' LEU . 24.8 t80 -58.45 -41.57 85.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.536 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -76.72 -52.45 9.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.307 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -46.62 -40.86 13.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.218 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 68.5 mtt-85 -61.39 -36.12 79.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.468 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 91.5 mt -84.11 -26.91 28.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.554 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 348' ' ' LYS . . . . . 0.485 ' O ' ' CE1' ' D' ' 350' ' ' TYR . 15.8 tptm -79.31 -57.49 3.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.504 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 349' ' ' VAL . . . . . . . . . . . . . 4.7 t -79.99 105.75 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.522 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 350' ' ' TYR . . . . . 0.485 ' CE1' ' O ' ' D' ' 348' ' ' LYS . 16.2 m-85 -79.75 74.09 6.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.552 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 351' ' ' HIS . . . . . 0.479 ' O ' ' ND1' ' D' ' 351' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.544 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.64 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.8 p -56.43 89.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.777 0.322 . . . . 0.0 110.651 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 12' ' ' LYS . 89.5 mttt -150.05 130.79 14.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.544 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 11' ' ' LYS . 16.3 mmtm 44.63 -172.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.622 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -112.34 131.79 55.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.513 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -79.12 93.03 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.573 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.7 mt -93.84 44.69 1.13 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.458 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.8 m -83.78 -3.8 58.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -147.56 76.38 1.4 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.749 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -128.22 163.49 24.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.351 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -106.96 166.68 10.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.622 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -65.61 -48.1 73.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.451 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.18 -33.61 74.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.694 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -68.37 -55.75 10.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.711 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.528 HD21 ' CD ' ' A' ' 42' ' ' GLU . 14.8 mt -56.42 -56.96 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.534 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.707 ' NH1' HD21 ' A' ' 28' ' ' ASN . 14.2 tpt85 -53.04 -53.41 50.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.437 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.532 ' OD2' ' CZ ' ' C' ' 245' ' ' PHE . 4.3 t70 -54.03 -50.57 66.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.384 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.569 ' O ' ' N ' ' A' ' 30' ' ' SER . 17.7 m -50.63 -50.29 54.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.644 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.2 mt -66.75 -25.87 35.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.638 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.707 HD21 ' NH1' ' A' ' 24' ' ' ARG . 1.3 m-80 -100.29 1.86 42.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.15 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.53 ' N ' ' O ' ' A' ' 25' ' ' ASP . 75.3 p -135.85 -7.3 2.13 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.072 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.569 ' N ' ' O ' ' A' ' 26' ' ' THR . 4.7 t -111.89 169.47 8.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.984 0.421 . . . . 0.0 110.904 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.43 ' SG ' ' C ' ' B' ' 147' ' ' GLY . 40.2 m -143.22 36.08 1.36 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.323 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -107.67 99.12 8.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.703 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.7 mt -41.61 -37.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.473 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -59.5 -55.14 38.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.134 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.494 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 9.2 mt -62.25 -46.53 88.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.044 179.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.1 mt -53.07 -45.09 67.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.438 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.38 -49.06 70.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.469 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.29 -43.0 96.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.396 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 86.4 m -59.78 -53.47 57.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.249 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.555 HH21 HD22 ' B' ' 171' ' ' LEU . 17.0 mtp-105 -54.46 -41.09 69.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.42 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -58.43 -56.49 21.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.846 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.528 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.6 pt-20 -67.73 -37.43 82.18 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.756 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.471 ' CD1' HD13 ' B' ' 173' ' ' LEU . 10.4 t80 -60.13 -34.87 74.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.532 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -83.29 -49.64 9.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.322 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -50.53 -37.99 42.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.213 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 70.9 mtt-85 -63.67 -15.93 59.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.614 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.9 mt -105.85 -23.58 12.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.599 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' A' ' 50' ' ' TYR . 65.8 mmtt -79.45 -32.26 42.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.743 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.418 ' H ' HG22 ' A' ' 49' ' ' VAL . 2.5 m -43.62 89.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.623 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.54 ' N ' ' O ' ' A' ' 48' ' ' LYS . 10.3 m-85 41.29 62.2 1.56 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.653 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.54 ' ND1' ' N ' ' A' ' 51' ' ' HIS . 3.5 p-80 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.588 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.477 ' CG ' ' H ' ' B' ' 102' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . 0.477 ' H ' ' CG ' ' B' ' 101' ' ' MET . 13.8 tt0 -168.54 87.62 0.2 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.509 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 7.1 pt -100.83 153.39 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.834 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -109.35 122.09 46.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.456 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 57.3 t -108.78 107.2 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.337 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . 0.401 ' HZ2' HG23 ' B' ' 166' ' ' THR . 55.3 mttp -91.76 139.17 30.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.933 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 50.9 p -90.38 -146.93 0.19 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.347 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.923 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.7 OUTLIER -82.96 -60.95 2.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.546 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . 0.402 ' H ' HG23 ' B' ' 109' ' ' THR . 5.6 p -56.45 -45.94 80.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.645 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 150.56 -6.92 0.68 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -45.71 112.24 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.725 0.297 . . . . 0.0 110.535 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.8 m -100.74 116.17 32.01 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.633 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 4.5 mt -105.69 130.56 56.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.434 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 7.5 m -90.24 99.89 12.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.543 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.492 HD22 ' N ' ' B' ' 115' ' ' LEU . 4.1 mm? -95.91 129.84 43.04 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.682 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -100.35 98.05 8.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.075 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . 0.43 HG21 ' CD1' ' B' ' 156' ' ' LEU . 22.9 m -122.54 -162.56 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.528 ' N ' ' OD2' ' B' ' 121' ' ' ASP . 37.2 mm-40 -144.56 150.11 46.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.917 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.3 -40.02 27.79 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.536 2.157 . . . . 0.0 112.597 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.6 p -81.83 22.81 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.408 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . 0.528 ' OD2' ' N ' ' B' ' 118' ' ' GLU . 29.7 m-20 -97.58 135.97 38.65 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.307 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 9.7 p -80.79 133.86 35.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.949 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 31.5 mm -43.69 -51.01 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.29 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -48.76 -42.17 34.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.171 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.699 HD22 ' NZ ' ' B' ' 129' ' ' LYS . 20.9 t30 -61.43 -39.53 91.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.096 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.39 -50.14 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.962 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -51.33 -39.83 57.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.203 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.29 -43.55 97.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.312 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.699 ' NZ ' HD22 ' B' ' 125' ' ' ASN . 42.0 mttp -57.75 -44.52 86.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.267 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 7.4 mt -62.38 -43.53 98.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.218 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -57.34 -28.32 63.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.192 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -79.88 -26.41 40.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.51 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -80.29 -62.1 1.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.498 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -89.92 -106.24 0.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.631 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -171.6 16.8 0.06 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.731 -0.947 . . . . 0.0 110.731 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.438 ' O ' ' OE1' ' B' ' 141' ' ' GLN . 14.8 mt -87.75 114.27 58.26 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 110.5 -0.185 . . . . 0.0 110.5 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -65.28 150.72 87.02 Favored 'Trans proline' 0 C--N 1.314 -1.274 0 C-N-CA 121.523 1.482 . . . . 0.0 111.525 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -48.51 -60.6 0.81 Allowed 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.481 2.12 . . . . 0.0 111.9 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -43.72 -26.41 0.24 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.594 HE22 ' H ' ' B' ' 174' ' ' ARG . 60.8 mm-40 -105.46 34.48 3.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.663 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' B' ' 138' ' ' PRO . 23.8 mt-30 -134.57 161.24 35.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.908 0.385 . . . . 0.0 110.624 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.447 ' NH1' ' OD1' ' A' ' 28' ' ' ASN . 22.2 ttt85 -166.43 116.64 0.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.204 -179.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 17.5 mt -96.82 131.65 43.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.034 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.5 mt -123.93 134.82 65.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.23 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -153.18 150.79 29.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.818 0.342 . . . . 0.0 110.718 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 58.19 22.24 8.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.963 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . 0.43 ' C ' ' SG ' ' A' ' 31' ' ' CYS . . . 73.38 28.9 64.95 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -146.18 147.77 31.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.874 0.369 . . . . 0.0 110.656 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . 0.534 HE22 ' C ' ' B' ' 150' ' ' LEU . 0.9 OUTLIER -78.73 135.31 37.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.24 179.852 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.534 ' C ' HE22 ' B' ' 149' ' ' GLN . 20.6 mt -88.01 118.74 27.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.766 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . 0.525 ' N ' ' OE1' ' B' ' 151' ' ' GLU . 0.5 OUTLIER -59.59 160.08 7.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.559 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.89 -24.54 26.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -100.17 37.63 3.48 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -139.49 174.03 10.93 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 25.6 p -111.09 166.1 11.34 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.76 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . 0.43 ' CD1' HG21 ' B' ' 117' ' ' VAL . 62.9 mt -62.5 -37.93 87.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.461 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . 0.497 ' C ' ' H ' ' B' ' 159' ' ' TYR . 8.5 t -56.27 -31.62 63.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.812 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -69.01 11.69 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.687 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . 0.497 ' H ' ' C ' ' B' ' 157' ' ' SER . 77.8 m-85 -140.61 3.72 1.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.559 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 6.1 m120 56.92 34.52 24.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.614 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 81.9 mt -79.5 97.28 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.493 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -79.68 -158.78 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.619 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . 0.422 ' NH1' ' OE1' ' B' ' 164' ' ' GLU . 39.7 ptt85 -83.4 158.97 21.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.666 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . 0.422 ' OE1' ' NH1' ' B' ' 163' ' ' ARG . 13.2 mt-10 63.15 23.27 13.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.746 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 50.2 m -82.32 129.92 34.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.452 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 166' ' ' THR . . . . . 0.401 HG23 ' HZ2' ' B' ' 106' ' ' LYS . 24.6 m -91.19 104.33 16.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.714 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 4.1 mp -96.12 147.06 24.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.498 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 168' ' ' HIS . . . . . 0.685 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -96.43 119.26 34.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.042 179.699 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 15.9 tp -99.28 111.16 23.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.475 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 1.1 t -112.17 144.09 20.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.234 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.602 HD12 ' N ' ' B' ' 171' ' ' LEU . 8.8 mp -82.24 91.13 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.567 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . 0.534 ' CG ' HH22 ' A' ' 24' ' ' ARG . 65.7 ttt180 -46.26 90.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.436 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . 0.512 ' N ' ' O ' ' B' ' 171' ' ' LEU . 22.9 mt -61.05 124.05 19.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.54 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . 0.594 ' H ' HE22 ' B' ' 140' ' ' GLN . 2.4 tmm_? -81.87 142.37 32.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.533 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 175' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' B' ' 176' ' ' GLY . . . -161.04 -123.92 0.7 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' B' ' 175' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.657 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 201' ' ' MET . . . . . 0.526 ' N ' ' O ' ' C' ' 217' ' ' VAL . 2.3 ptt? . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -82.55 119.88 24.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.65 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 19.4 pt -113.73 144.73 20.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.643 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -94.33 146.98 23.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.668 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 45.6 t -130.96 110.72 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.37 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -80.55 115.14 19.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.526 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 207' ' ' THR . . . . . 0.469 HG23 ' O ' ' C' ' 211' ' ' LYS . 52.4 p -68.76 -163.38 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.469 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 208' ' ' LEU . . . . . 0.928 ' H ' HD22 ' C' ' 208' ' ' LEU . 0.7 OUTLIER -81.34 -53.75 6.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.562 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 209' ' ' THR . . . . . 0.417 ' H ' HG23 ' C' ' 209' ' ' THR . 14.1 p -63.58 -44.22 94.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.577 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 154.82 -32.15 0.67 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 211' ' ' LYS . . . . . 0.469 ' O ' HG23 ' C' ' 207' ' ' THR . 43.3 tttp -44.68 128.62 6.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.76 0.314 . . . . 0.0 110.708 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 212' ' ' THR . . . . . 0.465 HG22 ' N ' ' C' ' 213' ' ' ILE . 31.4 m -99.32 158.69 15.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.644 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 213' ' ' ILE . . . . . 0.465 ' N ' HG22 ' C' ' 212' ' ' THR . 0.5 OUTLIER -136.14 130.16 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.402 179.819 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 26.2 m -99.94 96.95 7.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.393 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 215' ' ' LEU . . . . . 0.538 ' N ' HD12 ' C' ' 215' ' ' LEU . 10.5 mp -97.29 132.18 43.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.739 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 216' ' ' GLU . . . . . 0.496 ' CD ' ' H ' ' C' ' 216' ' ' GLU . 3.6 mp0 -83.8 126.4 32.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.984 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 217' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' C' ' 201' ' ' MET . 18.8 m -147.49 -161.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.066 0.46 . . . . 0.0 111.105 -179.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 218' ' ' GLU . . . . . 0.505 ' N ' ' OD2' ' C' ' 221' ' ' ASP . 2.1 mt-10 -142.67 170.66 8.38 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.668 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.28 -12.99 20.98 Favored 'Trans proline' 0 C--N 1.311 -1.395 0 C-N-CA 122.461 2.107 . . . . 0.0 112.432 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 2.7 p -101.73 -5.77 24.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.728 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 221' ' ' ASP . . . . . 0.505 ' OD2' ' N ' ' C' ' 218' ' ' GLU . 37.6 m-20 -66.77 140.69 57.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.428 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 10.3 p -85.8 141.76 29.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 22.2 mm -49.33 -39.6 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.248 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -58.39 -39.57 80.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.298 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 225' ' ' ASN . . . . . 0.518 ' OD1' ' NZ ' ' C' ' 229' ' ' LYS . 39.5 t-20 -65.06 -40.49 94.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.144 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 35.9 t -62.46 -47.52 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.188 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 227' ' ' LYS . . . . . 0.54 ' NZ ' ' O ' ' C' ' 241' ' ' GLN . 28.7 mttm -55.44 -40.13 71.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.242 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -61.77 -44.36 97.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.209 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 229' ' ' LYS . . . . . 0.518 ' NZ ' ' OD1' ' C' ' 225' ' ' ASN . 60.1 mttp -58.35 -45.37 88.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.288 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 59.7 mt -61.05 -37.76 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.29 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -61.24 -36.03 78.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.252 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -72.55 -24.05 61.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.621 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -82.95 -62.79 1.5 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.687 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -86.38 -107.91 0.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.649 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -171.31 13.15 0.05 OUTLIER Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 236' ' ' ILE . . . . . 0.524 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 27.7 mt -89.61 114.17 59.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -63.4 152.48 79.81 Favored 'Trans proline' 0 C--N 1.314 -1.273 0 C-N-CA 121.524 1.483 . . . . 0.0 111.745 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 238' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' C' ' 240' ' ' GLN . 2.7 Cg_endo -47.45 -62.75 0.4 Allowed 'Trans proline' 0 C--N 1.31 -1.492 0 C-N-CA 122.516 2.144 . . . . 0.0 111.88 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -45.45 -15.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.672 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 240' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' C' ' 238' ' ' PRO . 86.5 mt-30 -116.58 33.62 5.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.61 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 241' ' ' GLN . . . . . 0.54 ' O ' ' NZ ' ' C' ' 227' ' ' LYS . 49.0 mt-30 -134.51 166.92 21.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.67 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 242' ' ' ARG . . . . . 0.625 HH12 HD21 ' D' ' 328' ' ' ASN . 5.9 ttt180 -170.43 147.72 3.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.762 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 11.4 mt -125.09 136.2 53.43 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.093 0.473 . . . . 0.0 111.101 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 244' ' ' ILE . . . . . 0.458 ' O ' ' CG ' ' C' ' 268' ' ' HIS . 1.6 mt -129.13 116.26 39.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.057 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 245' ' ' PHE . . . . . 0.532 ' CZ ' ' OD2' ' A' ' 25' ' ' ASP . 61.9 t80 -100.7 74.54 1.67 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.947 0.404 . . . . 0.0 110.91 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 246' ' ' ALA . . . . . 0.4 ' CB ' ' OD1' ' A' ' 25' ' ' ASP . . . 56.34 88.17 0.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.973 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 247' ' ' GLY . . . . . . . . . . . . . . . 54.75 40.33 71.05 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -150.92 92.47 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.754 0.311 . . . . 0.0 110.901 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 249' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' D' ' 328' ' ' ASN . 10.9 tt0 -73.07 119.48 17.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.781 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 9.3 mt -80.83 141.44 34.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.931 0.395 . . . . 0.0 111.093 -179.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -86.14 161.09 19.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.364 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.16 0.1 54.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.891 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -123.14 34.25 3.76 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -135.81 178.44 7.04 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 255' ' ' THR . . . . . 0.42 ' C ' ' H ' ' C' ' 257' ' ' SER . 30.3 p -117.33 162.94 17.1 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.683 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 71.9 mt -66.83 2.77 1.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.6 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 257' ' ' SER . . . . . 0.42 ' H ' ' C ' ' C' ' 255' ' ' THR . 1.4 t -92.26 -43.77 9.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.726 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -51.0 -31.21 17.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.571 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -98.04 0.98 47.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.73 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 260' ' ' ASN . . . . . 0.406 ' O ' ' OD1' ' C' ' 260' ' ' ASN . 13.5 t-20 62.15 13.13 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.767 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 45.0 mt -51.77 96.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.865 0.364 . . . . 0.0 110.3 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -76.3 -157.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.661 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -84.19 159.0 21.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 58.29 33.96 23.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.776 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 26.7 m -89.95 134.88 33.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.56 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 7.0 m -86.68 113.65 22.72 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.477 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 11.8 mt -109.55 115.74 30.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.704 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 268' ' ' HIS . . . . . 0.645 ' ND1' ' N ' ' C' ' 268' ' ' HIS . 0.1 OUTLIER -73.39 117.35 15.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.078 179.627 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 269' ' ' LEU . . . . . 0.4 HD12 ' O ' ' C' ' 242' ' ' ARG . 35.1 tp -88.8 128.38 35.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.38 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 270' ' ' VAL . . . . . 0.522 HG12 ' H ' ' C' ' 271' ' ' LEU . 4.6 t -131.08 168.49 23.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.638 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 271' ' ' LEU . . . . . 0.522 ' H ' HG12 ' C' ' 270' ' ' VAL . 10.5 mt -99.53 119.84 38.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.532 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -79.92 91.63 5.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.557 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 273' ' ' LEU . . . . . 0.5 HD13 ' CD1' ' D' ' 343' ' ' PHE . 17.4 mt -72.99 100.44 2.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.548 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 274' ' ' ARG . . . . . 0.524 ' O ' ' NH2' ' D' ' 324' ' ' ARG . 61.2 ttt180 56.73 160.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.448 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . -149.48 73.44 0.28 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 88.9 m . . . . . 0 C--O 1.221 -0.404 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.609 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.698 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -157.05 85.06 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.774 0.321 . . . . 0.0 110.573 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 311' ' ' LYS . . . . . . . . . . . . . 59.3 tttt 45.38 52.05 9.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.54 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 312' ' ' LYS . . . . . 0.409 ' C ' ' CG ' ' D' ' 313' ' ' TYR . 16.9 mtmm -75.06 -157.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.58 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 313' ' ' TYR . . . . . 0.409 ' CG ' ' C ' ' D' ' 312' ' ' LYS . 11.8 m-85 -149.78 145.9 26.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.481 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -78.98 92.86 5.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.632 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 315' ' ' LEU . . . . . 0.472 ' C ' ' H ' ' D' ' 317' ' ' LYS . 19.6 mt -97.04 33.83 1.85 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.457 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 13.3 p -71.21 13.44 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.666 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 317' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' D' ' 315' ' ' LEU . 27.5 pttt -157.7 80.91 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.64 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 8.0 m95 -138.88 164.09 30.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.157 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -108.16 161.4 15.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.603 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -63.68 -48.74 75.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.413 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -60.08 -36.03 76.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.613 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -67.77 -55.41 13.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.633 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.508 HD21 ' CD ' ' D' ' 342' ' ' GLU . 13.3 mt -54.64 -56.77 15.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.448 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 324' ' ' ARG . . . . . 0.524 ' NH2' ' O ' ' C' ' 274' ' ' ARG . 4.0 tpt180 -53.09 -52.03 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.497 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 325' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' D' ' 329' ' ' THR . 69.8 m-20 -56.91 -49.45 75.55 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.439 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 326' ' ' THR . . . . . 0.423 ' O ' ' N ' ' D' ' 330' ' ' SER . 18.8 m -51.07 -43.26 60.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.56 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 95.8 mt -77.89 -21.88 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.757 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 328' ' ' ASN . . . . . 0.693 HD22 ' N ' ' D' ' 328' ' ' ASN . 0.7 OUTLIER -102.33 3.83 38.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.985 -179.765 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.512 ' N ' ' O ' ' D' ' 325' ' ' ASP . 82.1 p -139.33 -40.57 0.47 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.683 0.277 . . . . 0.0 111.227 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 330' ' ' SER . . . . . 0.423 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.5 OUTLIER -82.13 162.34 22.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.035 0.445 . . . . 0.0 111.317 -179.335 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 331' ' ' CYS . . . . . 0.483 ' O ' ' SG ' ' D' ' 331' ' ' CYS . 26.5 p -138.35 88.28 2.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.305 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -157.1 95.4 1.49 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.328 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 4.6 mt -38.83 -34.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.798 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -64.07 -59.01 4.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.278 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 19.4 mt -60.96 -48.85 79.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.933 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 39.0 mt -50.58 -45.48 57.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.453 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -62.89 -49.07 76.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.43 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -63.38 -47.24 82.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.706 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 339' ' ' CYS . . . . . . . . . . . . . 75.4 m -55.29 -48.36 74.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.424 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 340' ' ' ARG . . . . . 0.489 ' NH2' HD12 ' C' ' 208' ' ' LEU . 6.8 mtp180 -62.8 -39.63 94.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.474 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -56.88 -57.32 12.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.653 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 342' ' ' GLU . . . . . 0.508 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.7 pt-20 -62.85 -33.95 76.33 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.555 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 343' ' ' PHE . . . . . 0.5 ' CD1' HD13 ' C' ' 273' ' ' LEU . 6.9 t80 -58.6 -44.87 90.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.288 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -70.39 -51.69 27.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.437 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -47.09 -49.13 22.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.503 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 72.1 mtt-85 -50.38 -36.72 33.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.499 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 12.5 mt -80.71 -52.53 7.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.526 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -61.41 -17.24 53.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.597 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 349' ' ' VAL . . . . . . . . . . . . . 5.9 t -132.61 106.93 11.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.539 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 350' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -79.47 44.66 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 351' ' ' HIS . . . . . . . . . . . . . 8.1 t60 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.565 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.62 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 11' ' ' LYS . 25.7 m -138.6 72.03 1.4 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.867 0.365 . . . . 0.0 110.463 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 10' ' ' THR . 34.0 tttp 50.04 100.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.567 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -79.52 173.76 12.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.575 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -96.1 130.04 43.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.517 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.56 92.85 5.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.582 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.9 mt -92.83 43.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.2 p -95.47 -6.52 40.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.667 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -122.14 41.71 3.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.524 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -109.32 168.28 9.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.548 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -112.54 164.13 13.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.568 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 29.5 t80 -60.59 -49.61 76.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.6 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.45 -39.24 92.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.417 ' O ' ' OG1' ' A' ' 26' ' ' THR . 52.0 mm-40 -60.15 -58.06 10.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.632 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.492 HD21 ' CD ' ' A' ' 42' ' ' GLU . 14.4 mt -55.5 -58.01 9.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.542 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.516 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 0.9 OUTLIER -52.8 -45.56 67.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.156 179.846 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 29' ' ' THR . 8.3 t70 -60.33 -49.77 76.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.09 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.541 ' O ' ' N ' ' A' ' 30' ' ' SER . 4.4 m -49.07 -45.95 43.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.46 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.611 HD11 ' SG ' ' A' ' 39' ' ' CYS . 89.5 mt -73.55 -28.03 24.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.949 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.516 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 1.9 m-80 -93.28 0.29 56.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.196 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' ASP . 43.8 p -137.0 -44.73 0.57 Allowed 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.357 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.8 OUTLIER -70.75 173.79 6.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.013 0.435 . . . . 0.0 111.323 -179.268 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.425 ' SG ' ' CG2' ' B' ' 144' ' ' ILE . 66.1 m -151.68 86.91 1.34 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.438 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -163.14 102.45 0.98 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.926 0.394 . . . . 0.0 110.537 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.635 ' H ' HD12 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -39.24 -44.52 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.77 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -55.16 -58.85 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.407 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.76 -52.49 65.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.102 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.9 mt -50.58 -46.16 57.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.578 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.85 -49.21 77.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.445 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.69 -42.78 99.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.229 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.611 ' SG ' HD11 ' A' ' 27' ' ' ILE . 30.9 t -60.75 -53.55 56.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.157 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.2 mtp-105 -55.04 -38.87 68.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.365 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -60.05 -59.67 5.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.664 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.492 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.7 pt-20 -63.24 -35.13 79.3 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.543 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.488 ' CD1' HD13 ' B' ' 173' ' ' LEU . 13.4 t80 -59.82 -40.55 88.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.304 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -71.97 -52.55 16.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.315 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.522 ' O ' ' N ' ' A' ' 49' ' ' VAL . 59.6 mtp180 -46.75 -47.7 20.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.451 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.7 mtp85 -52.12 -26.74 11.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.569 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.3 mt -95.84 -53.82 3.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.569 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -68.07 -48.02 66.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.638 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.522 ' N ' ' O ' ' A' ' 45' ' ' ARG . 3.0 t 56.59 -126.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.291 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.432 ' O ' ' O ' ' A' ' 49' ' ' VAL . 0.3 OUTLIER 45.52 98.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.56 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.528 179.94 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.526 ' N ' ' O ' ' B' ' 117' ' ' VAL . 29.4 ttp . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -92.31 125.37 36.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.669 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 17.4 pt -123.42 145.01 31.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.487 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . 0.497 ' CE2' ' OG1' ' B' ' 114' ' ' THR . 78.9 m-85 -98.96 135.67 40.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.669 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 38.5 t -113.89 107.05 21.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.253 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.44 155.12 27.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.63 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 17.1 p -121.61 -174.24 2.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.424 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.941 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.7 OUTLIER -81.85 -26.98 33.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.406 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 44.5 p -84.85 3.1 39.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.47 -14.85 63.74 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -56.11 161.64 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 110.535 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 4.7 m -141.37 152.82 44.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.551 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -137.98 126.24 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.431 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . 0.497 ' OG1' ' CE2' ' B' ' 104' ' ' PHE . 10.6 m -96.93 96.53 8.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.559 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.566 HD12 ' N ' ' B' ' 115' ' ' LEU . 8.8 mp -95.7 137.9 34.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.734 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -90.23 123.31 33.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.2 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' B' ' 101' ' ' MET . 16.8 m -147.76 -170.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.018 0.437 . . . . 0.0 110.818 -179.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.59 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 4.5 mt-10 -137.43 148.38 61.54 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.786 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.98 -25.04 2.53 Favored 'Trans proline' 0 C--N 1.31 -1.462 0 C-N-CA 122.385 2.056 . . . . 0.0 112.377 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.34 12.31 18.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.946 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . 0.59 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 1.1 m-20 -84.31 134.8 34.5 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 110.256 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 10.5 p -83.65 135.82 34.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.793 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 26.2 mm -41.96 -48.65 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.317 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -51.0 -42.69 60.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.164 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.455 ' O ' ' HB3' ' B' ' 128' ' ' ALA . 0.2 OUTLIER -60.46 -46.89 88.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.022 179.478 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 45.7 t -54.79 -46.78 74.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.941 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . 0.445 ' O ' ' OE1' ' B' ' 141' ' ' GLN . 82.7 mttt -54.73 -36.59 64.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.948 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' B' ' 125' ' ' ASN . . . -62.4 -49.84 73.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.17 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -55.19 -47.61 74.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.359 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 71.7 mt -56.87 -46.79 83.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.366 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . 0.451 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 2.1 tp60 -54.77 -31.48 58.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.871 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -70.88 -40.33 72.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.627 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -70.59 -64.59 0.87 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.324 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -80.99 -115.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.618 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -168.77 13.04 0.06 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.525 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 45.7 mt -84.69 119.0 72.3 Favored Pre-proline 0 CA--C 1.533 0.289 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -59.94 153.15 59.36 Favored 'Trans proline' 0 C--N 1.314 -1.279 0 C-N-CA 121.476 1.451 . . . . 0.0 111.654 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.515 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -47.8 -65.44 0.18 Allowed 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.501 2.134 . . . . 0.0 111.882 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . 0.416 ' O ' ' OD1' ' B' ' 139' ' ' ASP . 50.1 t0 -42.31 -22.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' B' ' 138' ' ' PRO . 86.5 mt-30 -106.69 33.38 3.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.788 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 78.3 mt-30 -134.65 82.27 1.95 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.7 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.705 HH12 HH21 ' B' ' 172' ' ' ARG . 40.6 ttt85 -90.04 112.22 23.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.994 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.6 mt -92.87 140.64 29.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.076 0.465 . . . . 0.0 111.24 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . 0.425 ' CG2' ' SG ' ' A' ' 31' ' ' CYS . 2.4 mt -133.57 138.03 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.205 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . 0.529 ' O ' ' HB3' ' B' ' 146' ' ' ALA . 83.9 t80 -166.29 144.25 5.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.591 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' B' ' 145' ' ' PHE . . . 71.85 17.9 5.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.8 21.9 70.51 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 37.9 mttm -146.36 149.93 34.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.716 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . 0.527 ' NE2' ' OE1' ' B' ' 151' ' ' GLU . 1.1 tm0? -80.65 131.58 35.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.187 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.444 ' O ' ' OE1' ' B' ' 149' ' ' GLN . 12.5 mt -80.26 113.56 18.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.029 -179.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . 0.527 ' OE1' ' NE2' ' B' ' 149' ' ' GLN . 0.3 OUTLIER -60.97 160.99 8.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.373 179.721 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.21 -24.48 32.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.812 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -97.75 41.33 2.31 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 32.8 mmt-85 -139.65 173.83 11.14 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 35.3 p -117.8 165.01 14.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.928 0.394 . . . . 0.0 110.654 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . 0.514 ' CD1' HG21 ' B' ' 117' ' ' VAL . 90.1 mt -61.94 -34.11 75.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.595 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 83.3 p -65.86 -41.63 91.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.685 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -51.15 -39.7 56.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.692 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . 0.416 ' OH ' ' OE2' ' B' ' 151' ' ' GLU . 57.9 m-85 -88.04 8.53 26.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.704 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' B' ' 160' ' ' ASN . 13.8 t-20 61.21 21.17 11.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.75 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 85.9 mt -69.93 102.59 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.369 . . . . 0.0 110.345 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -83.85 -168.14 2.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.729 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -72.75 161.79 30.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.818 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 51.54 38.94 23.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.679 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 30.4 m -102.28 138.94 38.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.492 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 6.2 m -85.1 147.45 26.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.37 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.7 mt -134.31 111.6 10.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.238 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 168' ' ' HIS . . . . . 0.689 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -68.77 106.6 2.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.162 -179.794 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 41.2 tp -87.57 130.34 34.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.622 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.0 t -129.24 154.95 40.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.359 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.624 HD12 ' N ' ' B' ' 171' ' ' LEU . 7.4 mp -98.1 104.19 16.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.603 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . 0.705 HH21 HH12 ' B' ' 142' ' ' ARG . 60.1 ttt180 -56.09 82.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.393 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' B' ' 171' ' ' LEU . 34.2 mt -46.64 96.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.656 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . 0.491 ' CG ' ' H ' ' B' ' 175' ' ' GLY . 0.0 OUTLIER 42.33 -141.22 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.711 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 175' ' ' GLY . . . . . 0.491 ' H ' ' CG ' ' B' ' 174' ' ' ARG . . . 173.83 -93.5 0.1 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.599 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 201' ' ' MET . . . . . . . . . . . . . 1.4 ptt? . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -96.75 114.19 25.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.727 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 18.6 pt -102.28 149.44 6.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.598 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -102.99 139.98 37.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.705 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 41.0 t -127.7 109.71 20.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.281 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -93.74 132.13 38.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.814 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 70.1 p -84.63 -157.43 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.301 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 208' ' ' LEU . . . . . 0.609 HD22 ' N ' ' C' ' 208' ' ' LEU . 3.3 mm? -70.4 -61.41 1.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.55 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 5.7 p -56.27 -45.89 79.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.546 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 143.78 11.51 0.36 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -62.66 110.23 1.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.736 0.303 . . . . 0.0 110.632 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 8.7 m -90.88 134.87 34.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.426 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 213' ' ' ILE . . . . . 0.409 HD13 HG21 ' C' ' 213' ' ' ILE . 2.8 mt -126.94 128.09 70.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.667 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 8.1 m -95.59 122.74 38.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.128 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 30.9 mt -130.41 128.92 42.34 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.877 0.37 . . . . 0.0 110.953 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -77.01 121.48 23.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.221 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 217' ' ' VAL . . . . . . . . . . . . . 15.4 m -147.56 174.03 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.385 . . . . 0.0 110.885 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 218' ' ' GLU . . . . . 0.584 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 76.1 mt-10 -128.39 151.24 76.23 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.0 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.81 -25.89 2.88 Favored 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 122.482 2.121 . . . . 0.0 112.352 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.6 p -80.59 -27.55 37.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.747 0.308 . . . . 0.0 110.944 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 221' ' ' ASP . . . . . 0.584 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 5.0 m-20 -45.71 135.57 6.69 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.964 0.411 . . . . 0.0 110.644 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 222' ' ' THR . . . . . 0.426 ' OG1' ' OD1' ' C' ' 225' ' ' ASN . 17.5 p -90.82 140.17 30.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.648 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 22.5 mm -45.51 -34.12 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.363 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -63.22 -41.58 99.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.264 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 225' ' ' ASN . . . . . 0.426 ' OD1' ' OG1' ' C' ' 222' ' ' THR . 2.8 m120 -63.64 -40.66 97.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.065 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 44.4 t -62.64 -50.76 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.961 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 227' ' ' LYS . . . . . 0.509 ' NZ ' ' O ' ' C' ' 241' ' ' GLN . 19.6 mttm -50.17 -42.35 50.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.177 179.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -61.55 -43.74 98.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.426 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 37.1 mttp -58.52 -38.88 78.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.445 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 8.0 mt -69.25 -33.1 56.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.314 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -66.21 -30.94 71.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.306 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -79.14 -31.17 43.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.631 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm -78.31 -62.44 1.68 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.705 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -86.05 -97.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.593 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 169.66 15.5 0.02 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 236' ' ' ILE . . . . . 0.523 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 53.7 mt -84.26 128.59 61.55 Favored Pre-proline 0 CA--C 1.532 0.283 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -55.58 147.99 56.16 Favored 'Trans proline' 0 C--N 1.313 -1.303 0 C-N-CA 121.645 1.564 . . . . 0.0 111.591 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 238' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -51.98 -37.21 67.1 Favored 'Trans proline' 0 C--N 1.309 -1.513 0 C-N-CA 122.246 1.964 . . . . 0.0 111.726 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -66.01 -40.8 91.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.493 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 240' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -84.43 36.57 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.536 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 241' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 87.0 mt-30 -134.34 74.72 1.55 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.525 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 242' ' ' ARG . . . . . 0.424 ' HE ' ' HG3' ' C' ' 249' ' ' GLN . 32.5 ttt85 -89.71 109.44 20.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.215 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 15.3 mt -88.5 131.59 34.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.5 mt -127.18 123.61 62.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.362 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 245' ' ' PHE . . . . . 0.449 ' CZ ' ' OD2' ' A' ' 25' ' ' ASP . 59.6 t80 -112.8 85.51 2.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.737 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 246' ' ' ALA . . . . . 0.461 ' C ' ' H ' ' C' ' 248' ' ' LYS . . . 63.69 61.67 0.98 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.817 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 247' ' ' GLY . . . . . 0.543 ' H ' ' HB3' ' D' ' 331' ' ' CYS . . . 73.95 -18.68 1.86 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 248' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' C' ' 246' ' ' ALA . 76.9 mttt -81.47 93.46 6.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.714 0.292 . . . . 0.0 110.64 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 249' ' ' GLN . . . . . 0.452 ' C ' ' NE2' ' C' ' 249' ' ' GLN . 0.7 OUTLIER -69.54 124.55 24.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.968 179.684 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 250' ' ' LEU . . . . . 0.441 ' C ' HE22 ' C' ' 249' ' ' GLN . 10.0 mt -85.08 137.74 32.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.929 0.395 . . . . 0.0 110.909 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.13 159.54 16.04 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.328 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -0.54 32.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.747 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -122.98 40.75 1.93 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -139.57 174.77 10.18 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 255' ' ' THR . . . . . 0.489 ' C ' ' H ' ' C' ' 257' ' ' SER . 19.1 p -118.47 159.63 23.16 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.688 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.34 2.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 257' ' ' SER . . . . . 0.489 ' H ' ' C ' ' C' ' 255' ' ' THR . 25.5 t -96.47 -32.88 12.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.549 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -74.43 15.98 0.3 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.567 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 259' ' ' TYR . . . . . 0.552 ' C ' HD22 ' C' ' 260' ' ' ASN . 69.7 m-85 -140.62 6.72 2.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.514 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 260' ' ' ASN . . . . . 0.618 HD22 ' N ' ' C' ' 260' ' ' ASN . 0.5 OUTLIER 57.68 28.17 15.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.719 179.851 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 91.9 mt -77.94 96.35 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.424 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -79.64 -157.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.754 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.62 161.77 21.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.718 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 52.43 24.37 2.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.593 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 24.2 m -85.48 134.68 34.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.571 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 6.7 m -82.25 151.42 26.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.425 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 8.7 mt -139.61 125.67 19.86 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.446 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 268' ' ' HIS . . . . . 0.638 ' ND1' ' N ' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -81.94 100.55 9.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.309 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 50.4 tp -82.6 133.81 35.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.806 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 270' ' ' VAL . . . . . 0.488 HG22 HD13 ' D' ' 336' ' ' LEU . 2.1 t -132.08 163.71 36.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.249 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 271' ' ' LEU . . . . . 0.598 ' N ' HD12 ' C' ' 271' ' ' LEU . 7.3 mp -101.39 98.25 8.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.357 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 -46.41 118.36 1.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.531 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 273' ' ' LEU . . . . . 0.509 HD13 ' CG ' ' D' ' 343' ' ' PHE . 34.6 mt -97.43 78.26 2.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.526 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -81.18 146.65 30.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.556 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 275' ' ' GLY . . . . . 0.48 ' O ' ' SG ' ' C' ' 276' ' ' CYS . . . -72.35 93.62 0.61 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 276' ' ' CYS . . . . . 0.48 ' SG ' ' O ' ' C' ' 275' ' ' GLY . 64.2 m . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.604 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.682 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 310' ' ' THR . . . . . 0.522 ' O ' ' N ' ' D' ' 312' ' ' LYS . 18.3 p -84.78 99.35 10.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.021 0.439 . . . . 0.0 110.56 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 311' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' D' ' 312' ' ' LYS . 29.9 pttt -42.23 90.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.778 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 312' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' D' ' 310' ' ' THR . 18.1 mmtp 44.11 -170.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.567 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -125.14 133.24 52.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.487 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -79.28 92.87 5.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.498 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 16.6 mt -94.34 32.5 1.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.493 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 43.9 p -74.84 6.79 3.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.612 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -147.47 73.59 1.29 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.664 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -133.82 158.53 43.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.387 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.41 ' N ' ' CD ' ' D' ' 319' ' ' LYS . 3.5 mptp? -99.62 165.02 11.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.55 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 320' ' ' TYR . . . . . 0.476 ' CD1' ' C ' ' D' ' 320' ' ' TYR . 16.0 t80 -65.42 -47.37 76.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.509 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.22 89.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.642 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -64.77 -50.65 65.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.731 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.574 HD21 ' CD ' ' D' ' 342' ' ' GLU . 14.7 mt -61.75 -56.0 24.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.597 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 324' ' ' ARG . . . . . 0.704 ' NH1' HD21 ' D' ' 328' ' ' ASN . 15.6 tpt85 -56.35 -43.18 78.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.546 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 325' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' D' ' 329' ' ' THR . 14.4 t70 -67.57 -46.09 73.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.505 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 326' ' ' THR . . . . . 0.479 ' O ' ' N ' ' D' ' 330' ' ' SER . 96.7 m -55.05 -41.02 70.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.49 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 327' ' ' ILE . . . . . 0.52 HG23 HD22 ' D' ' 336' ' ' LEU . 96.5 mt -73.51 -38.01 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.621 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 328' ' ' ASN . . . . . 0.704 HD21 ' NH1' ' D' ' 324' ' ' ARG . 0.8 OUTLIER -79.17 -21.9 45.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.6 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.47 ' N ' ' O ' ' D' ' 325' ' ' ASP . 68.2 p -103.5 -49.24 3.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.775 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 330' ' ' SER . . . . . 0.479 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.5 OUTLIER -79.07 178.33 8.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.924 -179.696 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 331' ' ' CYS . . . . . 0.543 ' HB3' ' H ' ' C' ' 247' ' ' GLY . 2.4 p -147.84 10.6 0.93 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.149 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -67.36 93.94 0.36 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.361 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . 0.6 ' HA ' HD12 ' D' ' 336' ' ' LEU . 2.1 mt -38.61 -41.2 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.891 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -57.83 -58.76 6.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.278 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 335' ' ' LEU . . . . . 0.501 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 11.1 mt -57.43 -39.21 75.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.057 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 336' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' D' ' 333' ' ' ILE . 95.7 mt -56.91 -42.47 79.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.135 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -66.15 -47.17 74.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.244 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 338' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' D' ' 341' ' ' GLU . . . -70.72 -32.81 70.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.371 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 339' ' ' CYS . . . . . 0.501 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 99.6 m -69.12 -45.21 70.74 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -65.79 -42.82 90.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.913 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 341' ' ' GLU . . . . . 0.462 ' CG ' ' N ' ' D' ' 342' ' ' GLU . 4.7 pt-20 -63.4 -45.19 92.15 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.636 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 342' ' ' GLU . . . . . 0.574 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.3 pt-20 -73.27 -36.59 66.37 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.444 -0.503 . . . . 0.0 110.182 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 343' ' ' PHE . . . . . 0.509 ' CG ' HD13 ' C' ' 273' ' ' LEU . 20.4 t80 -59.04 -40.01 83.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.185 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -75.71 -52.59 10.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.363 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 345' ' ' ARG . . . . . 0.468 HH21 ' CB ' ' D' ' 342' ' ' GLU . 0.5 OUTLIER -46.09 -43.16 14.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.191 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 9.0 mtp85 -59.73 -38.92 83.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.559 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . 0.415 ' CD1' ' CE1' ' D' ' 343' ' ' PHE . 12.5 mt -83.28 -25.09 31.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.466 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 348' ' ' LYS . . . . . 0.425 ' HB3' ' HZ2' ' D' ' 348' ' ' LYS . 0.5 OUTLIER -75.41 -49.33 19.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.555 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 349' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' D' ' 351' ' ' HIS . 83.7 t -80.0 126.67 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.506 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 350' ' ' TYR . . . . . 0.497 ' N ' ' CD1' ' D' ' 350' ' ' TYR . 0.5 OUTLIER -46.32 89.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.499 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 351' ' ' HIS . . . . . 0.524 ' N ' ' O ' ' D' ' 349' ' ' VAL . 8.0 p80 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.549 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.684 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.2 t -170.45 141.64 1.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 110.514 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -150.06 100.1 2.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.464 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.1 mmtt -79.85 171.66 14.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.549 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -95.07 123.83 38.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.521 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.69 92.88 4.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.56 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.521 HD13 ' OE1' ' A' ' 42' ' ' GLU . 9.7 mt -93.96 44.64 1.13 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.408 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.8 p -64.74 -25.94 68.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.801 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -155.05 112.83 3.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.711 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -135.61 179.47 6.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.15 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -116.58 158.53 23.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.424 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -59.49 -51.24 70.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.687 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.03 -44.35 92.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.77 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -55.04 -48.82 72.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.6 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.505 HD21 ' CD ' ' A' ' 42' ' ' GLU . 15.9 mt -62.28 -58.4 7.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.439 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.669 HH12 HH12 ' B' ' 142' ' ' ARG . 1.5 ttt85 -52.95 -49.36 66.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.338 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.527 ' OD2' ' CZ ' ' C' ' 245' ' ' PHE . 4.3 t70 -55.96 -50.59 70.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.214 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.529 ' O ' ' N ' ' A' ' 30' ' ' SER . 33.2 m -50.5 -44.74 56.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.363 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.653 HD11 ' SG ' ' A' ' 39' ' ' CYS . 86.4 mt -73.11 -39.31 56.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.635 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.681 HD22 ' N ' ' A' ' 28' ' ' ASN . 0.7 OUTLIER -77.76 -5.53 50.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.113 -179.427 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 25' ' ' ASP . 68.8 p -125.71 -53.94 1.55 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.031 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.4 t -65.3 170.45 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.056 0.455 . . . . 0.0 111.048 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.8 p -142.69 22.93 1.96 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.326 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.32 97.11 10.61 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.716 -179.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.439 ' N ' HD13 ' A' ' 33' ' ' ILE . 5.2 mm -39.34 -38.89 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.568 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.635 ' CD ' ' H ' ' A' ' 34' ' ' GLU . 6.5 mp0 -59.54 -59.02 6.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.387 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.7 mt -59.4 -39.71 84.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.265 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.4 mt -58.18 -43.92 87.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.41 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.3 -49.3 61.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.422 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.4 97.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.267 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.653 ' SG ' HD11 ' A' ' 27' ' ' ILE . 51.5 t -59.82 -53.48 57.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.047 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.661 ' HE ' ' CD1' ' B' ' 171' ' ' LEU . 16.6 mtp-105 -54.26 -42.68 70.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.183 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -56.32 -58.9 6.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.816 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.521 ' OE1' HD13 ' A' ' 15' ' ' LEU . 3.3 pt-20 -65.14 -37.52 87.68 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.756 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.579 ' CD1' HD13 ' B' ' 173' ' ' LEU . 11.9 t80 -58.75 -43.68 90.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.799 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -72.12 -55.6 7.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.434 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.456 ' O ' HG12 ' A' ' 49' ' ' VAL . 73.1 mtp180 -45.86 -45.28 14.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.584 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 67.7 mtt-85 -54.3 -28.02 39.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.54 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.3 mt -92.85 -49.04 6.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.567 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -56.3 -45.7 80.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.645 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.518 ' O ' HG13 ' A' ' 49' ' ' VAL . 7.4 p -45.17 119.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.614 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' VAL . 61.1 m-85 35.43 80.15 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.051 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.3 t60 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.565 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -94.13 117.93 30.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.61 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 21.8 pt -104.39 148.47 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.605 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -99.61 147.32 25.49 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.774 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 92.3 t -131.8 106.04 10.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.167 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -94.28 130.29 40.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.76 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 71.4 p -86.45 -156.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.504 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.952 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.5 OUTLIER -83.32 -37.08 23.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.408 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 6.3 p -77.54 -7.32 56.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.521 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 96.34 19.29 28.38 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -79.33 112.73 16.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.726 0.298 . . . . 0.0 110.511 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.6 m -92.02 139.76 30.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.697 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 1.4 mt -133.33 124.48 49.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.42 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 9.1 m -91.51 126.19 36.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.387 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 29.6 mt -131.49 131.74 43.69 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.925 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -78.93 124.19 28.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.191 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 16.5 m -147.44 177.73 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.908 0.385 . . . . 0.0 110.895 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.598 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 81.1 mt-10 -132.61 150.64 76.36 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.971 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.83 -23.12 2.27 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.511 2.141 . . . . 0.0 112.322 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.4 p -92.4 11.24 26.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.009 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . 0.598 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 6.6 m-20 -83.75 131.33 34.92 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.199 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . 0.535 ' OG1' ' ND2' ' B' ' 125' ' ' ASN . 4.6 p -84.33 134.63 34.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.849 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 29.1 mm -42.4 -33.33 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.144 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -64.85 -39.71 93.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.186 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.535 ' ND2' ' OG1' ' B' ' 122' ' ' THR . 56.8 m-80 -65.09 -39.59 93.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.936 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 21.2 t -64.05 -44.32 97.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.051 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -57.31 -38.03 73.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.096 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.68 -43.5 93.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.194 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -58.45 -49.52 77.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.316 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 30.3 mt -57.79 -49.93 79.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.269 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . 0.427 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.9 OUTLIER -50.34 -36.01 30.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.372 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -69.85 -30.65 68.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.434 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -77.5 -63.55 1.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.446 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -79.65 -83.33 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.513 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 156.66 13.11 0.05 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.512 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 52.3 mt -85.2 127.62 63.27 Favored Pre-proline 0 CA--C 1.533 0.294 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -56.23 149.68 53.4 Favored 'Trans proline' 0 C--N 1.314 -1.26 0 C-N-CA 121.673 1.582 . . . . 0.0 111.651 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -50.78 -36.28 51.26 Favored 'Trans proline' 0 C--N 1.31 -1.457 0 C-N-CA 122.318 2.012 . . . . 0.0 111.885 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . 0.468 ' C ' ' H ' ' B' ' 141' ' ' GLN . 52.6 t0 -69.26 -48.55 61.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.83 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -72.7 37.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.794 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.512 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 79.4 mt-30 -134.39 156.33 48.71 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.626 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.687 HH21 ' NE2' ' B' ' 149' ' ' GLN . 12.2 ttt85 -159.35 138.28 11.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.013 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.4 mt -121.16 136.83 54.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.078 0.466 . . . . 0.0 111.057 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.8 mt -126.86 140.74 48.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.148 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' B' ' 148' ' ' LYS . 50.6 t80 -148.01 153.14 38.58 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.663 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 41.64 26.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.688 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' B' ' 145' ' ' PHE . . . 72.66 43.46 43.38 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' B' ' 145' ' ' PHE . 34.8 mtmm -150.03 135.47 18.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.785 0.326 . . . . 0.0 110.594 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . 0.687 ' NE2' HH21 ' B' ' 142' ' ' ARG . 16.8 tt0 -75.41 125.69 29.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.362 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 15.1 mt -82.64 137.43 34.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.751 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . 0.461 ' OE1' ' NH2' ' B' ' 154' ' ' ARG . 33.8 mt-10 -81.23 160.54 24.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.487 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' B' ' 152' ' ' ASP . 0.0 OUTLIER -82.72 -17.48 44.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.66 -179.823 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -105.27 40.87 2.32 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.254 -0.739 . . . . 0.0 111.254 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . 0.461 ' NH2' ' OE1' ' B' ' 151' ' ' GLU . 30.4 mmt-85 -139.57 167.77 21.35 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 17.7 p -113.04 158.14 20.68 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.961 0.41 . . . . 0.0 110.822 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 91.9 mt -55.99 -26.83 50.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.634 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 9.7 t -69.66 -43.32 72.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.713 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -50.32 -42.11 52.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.708 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -86.42 5.23 36.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.578 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . 0.52 ' O ' ' NE2' ' B' ' 162' ' ' GLN . 7.1 m-80 62.94 15.15 8.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.801 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 69.8 mt -59.51 109.41 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.398 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' B' ' 160' ' ' ASN . 51.0 mm-40 -83.9 -156.98 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.766 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -85.76 157.25 20.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.77 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 56.58 31.48 19.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.809 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 36.4 m -82.35 136.7 34.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.561 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 4.0 m -88.47 108.77 19.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.615 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 12.1 mt -101.93 127.94 48.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.549 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 168' ' ' HIS . . . . . 0.648 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -83.55 115.95 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.25 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . 0.435 HD12 ' O ' ' B' ' 142' ' ' ARG . 33.0 tp -92.1 125.17 36.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.438 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.2 t -132.11 157.06 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.3 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.661 ' CD1' ' HE ' ' A' ' 40' ' ' ARG . 13.4 mt -83.0 121.15 26.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.641 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -75.79 61.55 1.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.522 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . 0.579 HD13 ' CD1' ' A' ' 43' ' ' PHE . 18.2 mt -43.85 104.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.595 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' B' ' 173' ' ' LEU . 20.5 mmm180 47.19 -175.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.537 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 173.04 -56.56 0.15 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 201' ' ' MET . . . . . 0.481 ' N ' ' O ' ' C' ' 217' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -87.35 122.23 30.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.422 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 21.1 pt -111.5 148.74 14.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.762 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -98.35 139.34 34.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.543 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 62.9 t -125.63 112.87 32.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.437 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -80.29 118.7 22.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.506 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 207' ' ' THR . . . . . 0.46 HG23 ' O ' ' C' ' 211' ' ' LYS . 29.9 p -72.2 -165.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.417 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 208' ' ' LEU . . . . . 0.981 ' H ' HD22 ' C' ' 208' ' ' LEU . 0.5 OUTLIER -81.09 -54.77 5.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.464 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 82.8 p -57.54 -47.28 82.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.463 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 145.75 8.4 0.32 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 211' ' ' LYS . . . . . 0.46 ' O ' HG23 ' C' ' 207' ' ' THR . 81.0 tttt -83.95 120.85 26.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.799 0.333 . . . . 0.0 110.627 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 22.6 m -85.61 156.1 20.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.461 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 2.4 mt -138.67 127.27 29.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.655 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 32.4 m -96.47 111.44 23.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.195 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 21.0 mt -116.05 135.13 54.23 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.998 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 216' ' ' GLU . . . . . 0.495 ' O ' ' NZ ' ' C' ' 229' ' ' LYS . 57.7 mt-10 -79.95 122.38 26.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.092 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 217' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' C' ' 201' ' ' MET . 9.4 m -146.8 169.41 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.951 0.405 . . . . 0.0 111.039 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 218' ' ' GLU . . . . . 0.615 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 71.4 mt-10 -123.19 150.37 59.75 Favored Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.939 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.14 -24.42 2.38 Favored 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.577 2.184 . . . . 0.0 112.457 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 3.4 p -84.77 -25.42 28.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.049 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 221' ' ' ASP . . . . . 0.615 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 9.6 m-20 -44.33 135.44 4.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.953 0.406 . . . . 0.0 110.658 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 222' ' ' THR . . . . . 0.475 ' O ' ' N ' ' C' ' 225' ' ' ASN . 18.2 p -89.76 137.15 32.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.574 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 223' ' ' ILE . . . . . 0.449 HG22 ' NZ ' ' C' ' 227' ' ' LYS . 21.1 mm -40.74 -53.02 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.557 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -50.41 -35.91 30.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.257 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 225' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' C' ' 222' ' ' THR . 0.9 OUTLIER -65.46 -39.71 92.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.029 179.43 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.34 -44.42 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.855 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 227' ' ' LYS . . . . . 0.449 ' NZ ' HG22 ' C' ' 223' ' ' ILE . 42.4 mttp -57.17 -38.97 74.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.021 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.33 -41.22 98.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.12 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 229' ' ' LYS . . . . . 0.495 ' NZ ' ' O ' ' C' ' 216' ' ' GLU . 54.0 mttt -60.48 -43.8 96.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.094 179.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 59.5 mt -67.35 -21.86 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.452 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -76.37 -32.07 58.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.138 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -77.39 -30.89 53.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.423 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -82.58 -55.51 4.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -83.96 -101.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.514 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 235' ' ' GLY . . . . . 0.446 ' H ' ' H ' ' C' ' 236' ' ' ILE . . . 172.01 8.21 0.02 OUTLIER Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 236' ' ' ILE . . . . . 0.535 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 55.8 mt -87.95 120.17 70.69 Favored Pre-proline 0 C--N 1.328 -0.338 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.11 149.37 85.17 Favored 'Trans proline' 0 C--N 1.315 -1.21 0 C-N-CA 121.46 1.44 . . . . 0.0 111.576 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 238' ' ' PRO . . . . . 0.492 ' C ' ' H ' ' C' ' 240' ' ' GLN . 2.7 Cg_endo -49.94 -55.55 4.0 Favored 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.296 1.997 . . . . 0.0 111.822 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -50.78 -9.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.699 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 240' ' ' GLN . . . . . 0.492 ' H ' ' C ' ' C' ' 238' ' ' PRO . 25.8 mt-30 -119.56 31.15 6.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.503 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 241' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 72.2 mt-30 -134.41 169.72 16.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.622 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 242' ' ' ARG . . . . . 0.64 HH12 ' ND2' ' D' ' 328' ' ' ASN . 4.0 ttt180 -170.4 150.37 3.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.906 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 15.2 mt -128.12 132.33 48.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.112 0.482 . . . . 0.0 110.909 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.7 mt -128.54 120.35 52.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.276 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 245' ' ' PHE . . . . . 0.527 ' CZ ' ' OD2' ' A' ' 25' ' ' ASP . 34.1 t80 -107.83 78.09 1.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.708 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 246' ' ' ALA . . . . . 0.482 ' C ' ' H ' ' C' ' 248' ' ' LYS . . . 68.7 67.29 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 247' ' ' GLY . . . . . 0.512 ' H ' ' HB3' ' D' ' 331' ' ' CYS . . . 70.13 -15.52 1.02 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 248' ' ' LYS . . . . . 0.482 ' H ' ' C ' ' C' ' 246' ' ' ALA . 46.1 mtmt -86.63 93.11 9.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.738 0.304 . . . . 0.0 110.75 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -70.98 127.01 31.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.173 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 9.5 mt -86.44 138.4 31.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.879 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -85.02 159.16 20.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.548 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 252' ' ' ASP . . . . . 0.437 ' OD2' ' NH2' ' C' ' 272' ' ' ARG . 0.4 OUTLIER -80.72 -1.32 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.853 -179.776 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -122.91 38.42 2.52 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.03 176.05 9.04 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 255' ' ' THR . . . . . 0.495 ' C ' ' H ' ' C' ' 257' ' ' SER . 20.6 p -119.23 158.4 26.08 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.601 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 93.6 mt -60.26 -0.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.581 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 257' ' ' SER . . . . . 0.495 ' H ' ' C ' ' C' ' 255' ' ' THR . 44.7 t -96.23 -22.4 17.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.618 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -79.78 12.81 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.641 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -140.62 7.66 2.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.598 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 4.0 m120 59.63 23.64 12.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.729 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 79.6 mt -71.14 103.02 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.446 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -81.57 -157.75 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.729 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -84.22 157.04 21.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.668 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 57.31 34.27 24.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.811 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 35.5 m -88.77 135.53 33.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.637 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 19.2 m -89.49 118.05 28.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.445 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 10.9 mt -110.29 124.77 52.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.79 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 268' ' ' HIS . . . . . 0.577 ' ND1' ' N ' ' C' ' 268' ' ' HIS . 0.7 OUTLIER -77.69 109.85 12.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.267 179.722 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 13.0 tp -78.81 142.86 36.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.756 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 270' ' ' VAL . . . . . 0.662 HG12 ' H ' ' C' ' 271' ' ' LEU . 6.4 t -145.95 173.36 3.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.384 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 271' ' ' LEU . . . . . 0.662 ' H ' HG12 ' C' ' 270' ' ' VAL . 50.8 mt -110.82 122.88 48.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.513 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 272' ' ' ARG . . . . . 0.437 ' NH2' ' OD2' ' C' ' 252' ' ' ASP . 17.9 ttm180 -84.6 110.62 18.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.615 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 273' ' ' LEU . . . . . 0.415 ' CD1' ' CG ' ' D' ' 343' ' ' PHE . 9.0 mt -82.1 143.86 31.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.64 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -78.68 -172.25 2.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.59 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . 167.01 -38.44 0.24 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 276' ' ' CYS . . . . . 0.457 ' SG ' ' O ' ' C' ' 276' ' ' CYS . 21.1 p . . . . . 0 C--O 1.221 -0.413 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.578 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.656 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 310' ' ' THR . . . . . 0.525 ' O ' ' N ' ' D' ' 312' ' ' LYS . 18.1 p -81.89 98.29 8.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.523 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 311' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -62.26 69.81 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.804 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 312' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' D' ' 310' ' ' THR . 13.1 mmmt -134.97 170.8 15.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.508 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 313' ' ' TYR . . . . . 0.475 ' CD1' ' N ' ' D' ' 313' ' ' TYR . 8.3 m-85 -93.43 135.49 34.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.567 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -80.1 92.78 5.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.465 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 12.2 mt -101.62 45.29 0.97 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.505 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 15.0 m -82.98 -8.32 59.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.785 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -136.05 74.99 1.53 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.738 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -129.96 165.86 21.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.354 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -110.28 164.2 12.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.629 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -61.85 -49.59 75.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.448 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -61.44 -42.57 98.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.71 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -57.99 -54.81 42.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.693 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.533 HD21 ' CD ' ' D' ' 342' ' ' GLU . 14.2 mt -58.3 -60.34 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.561 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 324' ' ' ARG . . . . . 0.516 ' O ' ' ND2' ' D' ' 328' ' ' ASN . 8.3 tpt180 -53.0 -41.7 64.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.473 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 325' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' D' ' 329' ' ' THR . 5.1 t70 -65.5 -47.62 75.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.561 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 326' ' ' THR . . . . . 0.56 ' O ' ' N ' ' D' ' 330' ' ' SER . 57.2 m -53.37 -47.82 69.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.697 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 88.4 mt -70.93 -31.44 45.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.561 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 328' ' ' ASN . . . . . 0.64 ' ND2' HH12 ' C' ' 242' ' ' ARG . 0.8 OUTLIER -87.7 -4.62 58.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.572 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.445 ' N ' ' O ' ' D' ' 325' ' ' ASP . 71.4 p -127.41 -15.88 5.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.947 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 330' ' ' SER . . . . . 0.56 ' N ' ' O ' ' D' ' 326' ' ' THR . 1.9 t -114.36 165.48 12.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.062 0.458 . . . . 0.0 110.815 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 331' ' ' CYS . . . . . 0.512 ' HB3' ' H ' ' C' ' 247' ' ' GLY . 8.9 p -134.61 11.82 3.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.986 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.44 90.89 0.54 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.446 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . 0.691 ' HA ' HD12 ' D' ' 336' ' ' LEU . 2.7 mt -38.0 -38.51 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.856 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -59.05 -58.34 9.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.214 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.26 -44.2 95.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.163 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 336' ' ' LEU . . . . . 0.691 HD12 ' HA ' ' D' ' 333' ' ' ILE . 71.0 mt -50.54 -45.04 56.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.335 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -67.96 -45.89 72.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.483 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 338' ' ' ALA . . . . . 0.461 ' HA ' ' HZ1' ' D' ' 312' ' ' LYS . . . -61.43 -46.57 89.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.625 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 339' ' ' CYS . . . . . . . . . . . . . 84.0 m -61.43 -53.28 58.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.364 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 340' ' ' ARG . . . . . 0.496 ' HD2' ' H ' ' C' ' 271' ' ' LEU . 7.2 mtp180 -55.86 -35.32 66.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.266 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -64.35 -53.4 49.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.607 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 342' ' ' GLU . . . . . 0.533 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.5 pt-20 -67.42 -35.9 80.17 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.55 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 343' ' ' PHE . . . . . 0.415 ' CG ' ' CD1' ' C' ' 273' ' ' LEU . 1.7 t80 -60.64 -45.06 95.5 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.295 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 42.2 m170 -67.5 -53.39 29.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.392 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -45.89 -55.47 6.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.407 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 74.5 mtt-85 -46.47 -42.86 16.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.448 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 40.4 mt -73.5 -28.64 62.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.538 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -70.24 -66.99 0.53 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.432 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 349' ' ' VAL . . . . . 0.514 ' O ' ' CD2' ' D' ' 350' ' ' TYR . 2.1 t -78.71 -136.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.411 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 350' ' ' TYR . . . . . 0.514 ' CD2' ' O ' ' D' ' 349' ' ' VAL . 66.1 m-85 -160.08 41.17 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.525 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 351' ' ' HIS . . . . . 0.418 ' OXT' ' O ' ' D' ' 350' ' ' TYR . 96.6 m-70 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.597 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.67 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.6 m -154.9 90.13 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.359 . . . . 0.0 110.474 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' NZ ' ' CB ' ' A' ' 11' ' ' LYS . 2.6 ttmp? -83.02 110.92 18.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.524 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -64.62 -172.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.485 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -123.08 148.87 45.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.514 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 22.6 p30 -78.97 92.84 4.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.492 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.426 ' O ' ' OE2' ' A' ' 42' ' ' GLU . 20.7 mt -100.1 44.98 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.67 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.9 m -90.1 -26.41 20.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.698 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -97.87 40.55 1.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.775 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -110.28 165.36 11.83 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.559 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.518 ' N ' ' OE1' ' A' ' 22' ' ' GLU . 41.0 mttm -115.02 167.57 10.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.581 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -62.18 -48.31 80.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.378 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.6 -38.7 91.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.741 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 19' ' ' LYS . 79.4 mt-10 -62.17 -56.71 16.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.757 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.531 HD21 ' CD ' ' A' ' 42' ' ' GLU . 14.6 mt -56.07 -56.21 23.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.699 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -53.03 -53.25 52.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.548 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 29' ' ' THR . 17.4 m-20 -52.81 -51.09 62.19 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.49 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.624 ' O ' ' N ' ' A' ' 30' ' ' SER . 38.6 m -51.32 -56.69 11.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.528 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.2 mt -59.61 -25.85 32.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.437 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.419 HD22 ' N ' ' A' ' 28' ' ' ASN . 1.7 m-80 -95.38 -5.64 42.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.283 -179.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 25' ' ' ASP . 30.5 p -135.16 3.61 3.15 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.228 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.624 ' N ' ' O ' ' A' ' 26' ' ' THR . 7.0 t -115.16 167.28 10.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.97 0.414 . . . . 0.0 110.88 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.442 ' SG ' ' C ' ' B' ' 147' ' ' GLY . 75.3 m -144.22 36.38 1.23 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.363 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.45 107.23 16.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.572 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.486 ' N ' HD13 ' A' ' 33' ' ' ILE . 3.4 mm -41.98 -42.39 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.5 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.63 -58.33 9.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.441 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.494 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 40.7 mt -58.69 -46.54 87.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.287 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.8 mt -58.05 -48.1 81.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.364 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.43 -49.15 64.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.685 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.33 -42.71 99.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.563 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 70.7 m -60.36 -49.46 77.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.562 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.569 ' HE ' HD21 ' B' ' 173' ' ' LEU . 16.9 mtp-105 -64.64 -32.18 73.73 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.458 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -62.64 -54.98 31.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.443 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.531 ' CD ' HD21 ' A' ' 23' ' ' LEU . 4.0 pt-20 -64.39 -36.3 83.69 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.447 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.446 ' CG ' HD12 ' B' ' 173' ' ' LEU . 1.8 t80 -57.49 -51.48 69.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.119 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.504 ' CE1' ' NH2' ' A' ' 40' ' ' ARG . 16.6 m170 -62.57 -49.16 76.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.287 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.99 -39.85 42.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.236 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.413 ' NH1' ' HE2' ' A' ' 51' ' ' HIS . 8.8 mtp85 -63.87 -43.51 95.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.664 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.45 -21.21 61.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.418 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -76.04 -58.19 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.471 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.1 m -75.1 -156.39 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.542 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.438 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 27.2 p90 -151.4 117.55 5.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.531 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.413 ' HE2' ' NH1' ' A' ' 46' ' ' ARG . 37.1 m80 . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.57 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.528 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -93.99 107.68 19.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.629 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 17.8 pt -99.1 148.09 6.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.533 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . 0.429 ' HD1' ' HG1' ' B' ' 114' ' ' THR . 67.2 m-85 -103.29 146.06 29.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.573 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 46.2 t -126.95 104.16 12.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.181 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.26 158.82 27.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.649 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 39.9 p -126.94 -175.94 3.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.291 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.89 HD22 ' H ' ' B' ' 108' ' ' LEU . 1.2 mm? -76.66 -33.7 58.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.403 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 33.7 p -79.2 9.24 4.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.572 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 86.61 -28.85 5.15 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -45.83 160.66 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 110.522 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . 0.425 HG22 ' N ' ' B' ' 113' ' ' ILE . 16.7 m -142.35 159.0 43.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.47 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.425 ' N ' HG22 ' B' ' 112' ' ' THR . 2.6 mt -140.39 128.2 24.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.696 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . 0.429 ' HG1' ' HD1' ' B' ' 104' ' ' PHE . 5.8 m -100.46 124.49 46.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.248 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.416 HD22 ' NZ ' ' B' ' 133' ' ' LYS . 28.1 mt -130.2 136.11 48.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.885 0.374 . . . . 0.0 110.822 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -81.79 124.73 29.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.155 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' B' ' 101' ' ' MET . 9.2 m -147.05 -175.81 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.919 0.39 . . . . 0.0 110.868 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.594 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 14.6 mm-40 -132.23 147.4 65.59 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.918 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.77 -18.3 0.51 Allowed 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 122.419 2.079 . . . . 0.0 112.211 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 3.6 p -89.29 -24.33 22.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.852 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . 0.594 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 1.2 m-20 -45.18 139.07 3.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.99 0.424 . . . . 0.0 110.66 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . 0.458 ' O ' ' N ' ' B' ' 125' ' ' ASN . 19.2 p -89.68 135.68 33.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.698 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 20.8 mm -42.69 -47.69 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.316 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -53.67 -37.11 62.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.102 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.504 ' OD1' ' NZ ' ' B' ' 129' ' ' LYS . 38.2 t-20 -64.94 -40.59 95.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.191 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 85.5 t -63.11 -45.56 98.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.155 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -56.85 -39.11 73.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.113 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . 0.417 ' O ' ' OD1' ' B' ' 132' ' ' ASP . . . -63.22 -44.82 94.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.295 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.504 ' NZ ' ' OD1' ' B' ' 125' ' ' ASN . 49.2 mttp -57.83 -52.46 65.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.324 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 87.1 mt -55.0 -43.7 70.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.414 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . 0.435 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.8 OUTLIER -57.3 -29.56 64.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.226 179.694 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' B' ' 128' ' ' ALA . 3.8 m-20 -72.5 -40.38 66.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.471 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . 0.416 ' NZ ' HD22 ' B' ' 115' ' ' LEU . 11.7 mptt -70.69 -64.27 0.93 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.305 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -78.68 -83.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.605 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 158.5 -7.49 0.17 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 48.6 mt -56.45 114.55 7.97 Favored Pre-proline 0 C--N 1.328 -0.355 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -62.15 147.68 94.61 Favored 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 121.467 1.445 . . . . 0.0 111.479 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.486 ' C ' ' H ' ' B' ' 140' ' ' GLN . 2.8 Cg_endo -49.77 -41.21 47.01 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.262 1.974 . . . . 0.0 111.801 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.34 10.99 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.72 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.486 ' H ' ' C ' ' B' ' 138' ' ' PRO . 60.7 mt-30 -141.23 41.96 1.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.478 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -134.43 166.12 23.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.653 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.526 ' NH2' ' OE1' ' B' ' 149' ' ' GLN . 34.9 ttt85 -170.04 108.05 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.32 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 16.3 mt -95.6 135.58 37.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.02 0.438 . . . . 0.0 111.074 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.7 mt -128.16 141.97 45.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.075 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . 0.5 ' C ' ' H ' ' B' ' 147' ' ' GLY . 39.5 t80 -158.01 147.21 19.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.922 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' B' ' 145' ' ' PHE . . . 66.88 -9.98 0.33 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.285 179.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . 0.5 ' H ' ' C ' ' B' ' 145' ' ' PHE . . . 110.08 24.02 5.89 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -146.04 157.07 43.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.905 0.384 . . . . 0.0 110.629 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . 0.526 ' OE1' ' NH2' ' B' ' 142' ' ' ARG . 34.8 tt0 -84.7 135.89 33.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.353 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 12.9 mt -86.27 130.82 34.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.637 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . 0.417 ' CD ' ' H ' ' B' ' 152' ' ' ASP . 1.3 tm-20 -73.61 159.57 32.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.424 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . 0.417 ' H ' ' CD ' ' B' ' 151' ' ' GLU . 1.7 m-20 -78.15 -40.36 38.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.719 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -85.48 45.66 3.53 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 22.7 mmt-85 -139.74 174.25 10.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.686 0.279 . . . . 0.0 110.412 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 31.0 p -119.92 166.91 12.7 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.902 0.382 . . . . 0.0 110.825 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.2 -0.84 3.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.695 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . 0.437 ' C ' ' H ' ' B' ' 159' ' ' TYR . 46.0 t -93.4 -33.76 13.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.635 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.63 15.46 0.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.636 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . 0.437 ' H ' ' C ' ' B' ' 157' ' ' SER . 59.5 m-85 -140.74 8.67 2.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.507 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . 0.578 HD22 ' N ' ' B' ' 160' ' ' ASN . 1.7 m120 55.85 30.01 15.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.795 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 97.0 mt -81.17 99.99 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.453 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -82.65 -157.47 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.704 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -82.97 161.58 21.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.764 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 54.26 18.01 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.527 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 18.1 m -81.23 133.79 35.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.536 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 166' ' ' THR . . . . . 0.469 ' O ' ' CD1' ' B' ' 145' ' ' PHE . 5.9 m -81.86 154.76 25.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.604 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.2 mt -139.62 114.97 9.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.124 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 168' ' ' HIS . . . . . 0.635 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.1 OUTLIER -69.74 116.99 10.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.433 -179.801 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.87 127.48 41.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.553 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 1.4 t -136.35 140.29 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.276 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.876 ' H ' HD22 ' B' ' 171' ' ' LEU . 0.3 OUTLIER -91.56 136.09 33.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.745 -179.476 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -89.78 97.85 11.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.394 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . 0.569 HD21 ' HE ' ' A' ' 40' ' ' ARG . 16.2 mt -61.11 128.95 38.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.532 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -75.28 141.64 43.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.564 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 173.47 152.93 9.2 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 201' ' ' MET . . . . . 0.515 ' N ' ' O ' ' C' ' 217' ' ' VAL . 1.9 ptt? . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -89.92 111.37 22.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.604 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 6.1 pt -103.74 150.16 7.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.65 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -94.56 149.93 20.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.336 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 71.5 t -136.85 106.54 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.352 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 206' ' ' LYS . . . . . 0.446 ' NZ ' ' CB ' ' C' ' 206' ' ' LYS . 7.2 mtpm? -91.89 140.61 29.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.643 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 58.3 p -89.24 -168.26 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.23 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 208' ' ' LEU . . . . . 0.946 ' H ' HD22 ' C' ' 208' ' ' LEU . 0.4 OUTLIER -86.56 23.12 1.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.467 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 17.7 p -136.51 -38.95 0.66 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.446 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 141.64 -0.73 1.71 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -69.52 111.56 5.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.645 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 22.6 m -97.32 141.71 30.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.516 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.86 127.06 55.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.633 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 23.0 m -91.78 112.39 24.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.185 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 17.8 mt -111.33 129.08 56.11 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.052 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -85.03 112.22 20.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.031 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 217' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' C' ' 201' ' ' MET . 23.6 m -137.5 -162.05 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.026 0.441 . . . . 0.0 111.001 -179.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 218' ' ' GLU . . . . . 0.524 ' N ' ' OD2' ' C' ' 221' ' ' ASP . 6.5 mt-10 -141.01 170.37 9.56 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.615 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -74.51 -14.64 22.34 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 C-N-CA 122.351 2.034 . . . . 0.0 112.499 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 8.3 t -100.09 -11.04 20.86 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.924 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 221' ' ' ASP . . . . . 0.524 ' OD2' ' N ' ' C' ' 218' ' ' GLU . 45.6 m-20 -59.88 142.55 53.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.935 0.397 . . . . 0.0 110.533 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 23.4 p -84.61 135.81 34.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 23.8 mm -45.96 -49.49 4.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.263 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -50.27 -40.99 49.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.294 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 225' ' ' ASN . . . . . 0.501 ' OD1' ' NZ ' ' C' ' 229' ' ' LYS . 44.6 t-20 -62.63 -36.64 83.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.026 179.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 16.5 t -64.85 -51.75 63.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.023 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -51.65 -38.14 53.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.14 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.91 -43.91 94.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.196 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 229' ' ' LYS . . . . . 0.501 ' NZ ' ' OD1' ' C' ' 225' ' ' ASN . 38.6 mttp -57.68 -39.84 78.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.005 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 9.0 mt -67.17 -34.95 72.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.0 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.61 -29.2 70.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.143 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -79.78 -30.68 40.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.496 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 48.5 mmtt -77.55 -62.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.674 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -87.44 -107.32 0.07 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.706 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -171.96 17.17 0.05 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 236' ' ' ILE . . . . . 0.495 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 18.0 mt -91.65 112.92 56.88 Favored Pre-proline 0 CA--C 1.532 0.27 0 N-CA-C 110.472 -0.196 . . . . 0.0 110.472 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -63.4 152.72 78.67 Favored 'Trans proline' 0 C--N 1.314 -1.249 0 C-N-CA 121.611 1.541 . . . . 0.0 111.662 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 238' ' ' PRO . . . . . 0.525 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.7 Cg_endo -47.34 -66.18 0.15 Allowed 'Trans proline' 0 C--N 1.31 -1.499 0 C-N-CA 122.608 2.206 . . . . 0.0 111.923 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -42.38 -20.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.732 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 240' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' C' ' 238' ' ' PRO . 67.3 mt-30 -108.57 34.23 3.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.631 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 241' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' C' ' 238' ' ' PRO . 61.4 mt-30 -134.56 162.64 31.72 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.649 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 242' ' ' ARG . . . . . . . . . . . . . 43.7 ttt85 -170.2 109.02 0.37 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.98 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 22.0 mt -93.13 137.85 32.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.138 0.494 . . . . 0.0 111.255 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 244' ' ' ILE . . . . . 0.448 HG21 ' SG ' ' D' ' 331' ' ' CYS . 1.7 mt -125.07 145.82 31.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.679 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 245' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -132.45 72.92 1.5 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.841 0.353 . . . . 0.0 111.222 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 60.11 87.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.073 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 247' ' ' GLY . . . . . . . . . . . . . . . 50.95 37.86 36.98 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -149.8 92.65 1.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.738 0.304 . . . . 0.0 110.645 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 249' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' C' ' 250' ' ' LEU . 20.3 tm0? -70.28 121.14 17.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.045 179.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 250' ' ' LEU . . . . . 0.522 ' O ' ' NE2' ' C' ' 249' ' ' GLN . 10.2 mt -76.75 123.19 25.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.337 . . . . 0.0 110.881 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -72.82 159.48 33.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.318 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 252' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' C' ' 252' ' ' ASP . 0.4 OUTLIER -79.69 -36.43 37.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.974 -179.751 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -90.07 38.9 3.15 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -139.68 -179.7 6.07 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 255' ' ' THR . . . . . 0.478 ' HG1' ' HG ' ' C' ' 257' ' ' SER . 82.7 p -118.4 175.45 5.71 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.826 0.346 . . . . 0.0 110.777 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 70.3 mt -76.43 1.51 16.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.777 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 257' ' ' SER . . . . . 0.494 ' C ' ' H ' ' C' ' 259' ' ' TYR . 2.9 p -93.86 -33.37 13.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.757 0.313 . . . . 0.0 110.637 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -70.15 14.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.638 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 259' ' ' TYR . . . . . 0.494 ' H ' ' C ' ' C' ' 257' ' ' SER . 76.3 m-85 -140.61 9.76 2.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.548 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 260' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' C' ' 260' ' ' ASN . 7.7 t30 51.23 38.05 20.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.745 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 80.9 mt -84.33 103.63 11.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.479 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -81.62 -158.83 0.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.637 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -85.2 157.66 20.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.633 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 58.42 26.52 14.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.8 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 30.6 m -82.14 137.16 35.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.541 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 3.6 m -83.26 120.06 25.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.644 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 3.3 mp -114.35 127.02 55.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.219 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 268' ' ' HIS . . . . . 0.683 ' ND1' ' N ' ' C' ' 268' ' ' HIS . 0.0 OUTLIER -84.9 116.93 23.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.253 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 19.1 tp -93.0 116.92 29.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.386 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -122.77 134.41 66.03 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 271' ' ' LEU . . . . . 0.625 ' N ' HD12 ' C' ' 271' ' ' LEU . 8.1 mp -74.63 108.41 7.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.671 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 272' ' ' ARG . . . . . 0.632 ' NE ' HH22 ' D' ' 324' ' ' ARG . 39.5 ttt180 -67.64 100.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.532 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 273' ' ' LEU . . . . . 0.421 HD13 ' CD1' ' D' ' 343' ' ' PHE . 22.3 mt -79.63 91.79 5.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.613 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -78.12 102.74 7.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.622 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 275' ' ' GLY . . . . . 0.423 ' O ' ' OXT' ' C' ' 276' ' ' CYS . . . -77.64 138.53 21.75 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 276' ' ' CYS . . . . . 0.423 ' OXT' ' O ' ' C' ' 275' ' ' GLY . 52.4 t . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.578 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 309' ' ' GLY . . . . . 0.471 ' C ' ' H ' ' D' ' 311' ' ' LYS . . . . . . . . 0 CA--C 1.523 0.59 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 11.5 t -76.0 35.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.993 0.425 . . . . 0.0 110.46 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 311' ' ' LYS . . . . . 0.471 ' H ' ' C ' ' D' ' 309' ' ' GLY . 58.5 tttp -172.44 105.91 0.17 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.515 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 312' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -71.81 -171.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.61 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -91.33 144.72 25.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -79.53 92.96 5.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.578 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 14.6 mt -104.64 31.39 4.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.553 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 27.5 p -82.53 18.56 1.46 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.654 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -146.13 40.95 1.16 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.635 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -108.94 174.69 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.519 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -118.02 167.04 11.82 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.61 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -60.8 -48.28 82.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.529 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -66.41 -41.12 89.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -57.8 -49.36 76.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.74 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.587 HD21 ' CD ' ' D' ' 342' ' ' GLU . 14.5 mt -65.13 -56.77 11.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.704 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 324' ' ' ARG . . . . . 0.632 HH22 ' NE ' ' C' ' 272' ' ' ARG . 2.6 ttt85 -53.08 -44.76 67.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.66 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 325' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' D' ' 329' ' ' THR . 8.9 m-20 -58.96 -50.63 73.34 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.357 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 326' ' ' THR . . . . . 0.54 ' O ' ' N ' ' D' ' 330' ' ' SER . 19.1 m -53.33 -44.32 68.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.511 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 327' ' ' ILE . . . . . . . . . . . . . 79.5 mt -74.82 -28.52 21.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.516 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 328' ' ' ASN . . . . . 0.533 HD22 ' N ' ' D' ' 328' ' ' ASN . 1.1 m-80 -92.06 -1.74 57.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.036 -179.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.467 ' N ' ' O ' ' D' ' 325' ' ' ASP . 80.7 p -132.85 -46.14 0.87 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.152 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 330' ' ' SER . . . . . 0.54 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.7 OUTLIER -71.66 170.59 13.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.114 0.483 . . . . 0.0 111.214 -179.39 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 331' ' ' CYS . . . . . 0.448 ' SG ' HG21 ' C' ' 244' ' ' ILE . 90.6 m -147.54 40.23 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.388 -179.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.05 99.24 8.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.583 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . 0.408 ' N ' HD13 ' D' ' 333' ' ' ILE . 6.1 mm -38.66 -37.98 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.635 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -61.19 -58.78 6.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.28 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 335' ' ' LEU . . . . . 0.486 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 12.0 mt -60.19 -49.18 78.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.259 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 73.2 mt -50.45 -45.37 55.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.486 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -64.65 -49.26 71.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.648 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -61.09 -43.98 98.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.39 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 339' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 67.4 m -57.03 -53.45 57.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.298 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 12.8 mtp85 -55.96 -43.44 77.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.456 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -54.95 -58.5 7.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 342' ' ' GLU . . . . . 0.587 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.6 pt-20 -63.61 -34.34 77.6 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.854 -179.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 343' ' ' PHE . . . . . 0.421 ' CD1' HD13 ' C' ' 273' ' ' LEU . 2.4 t80 -63.71 -43.14 97.44 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.539 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -68.28 -47.97 66.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -52.05 -54.69 27.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.31 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -46.35 -36.63 6.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.57 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 76.0 mt -77.0 -53.78 7.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.499 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -46.28 -55.26 7.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.544 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 349' ' ' VAL . . . . . 0.446 ' O ' ' CD2' ' D' ' 350' ' ' TYR . 2.6 t -77.71 -130.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.393 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 350' ' ' TYR . . . . . 0.446 ' CD2' ' O ' ' D' ' 349' ' ' VAL . 76.6 m-85 -155.74 27.6 0.38 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.552 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 351' ' ' HIS . . . . . . . . . . . . . 49.2 m170 . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.543 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.6 m -154.03 90.66 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 110.478 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -153.09 157.49 40.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.446 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.541 ' N ' ' CD ' ' A' ' 12' ' ' LYS . 10.6 mptt -70.21 -169.19 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.38 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -139.21 131.22 27.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.507 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -79.5 92.83 5.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.618 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.1 mt -97.41 45.14 1.04 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.464 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.3 m -82.76 15.59 2.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -171.24 82.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.929 0.395 . . . . 0.0 110.757 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -131.17 161.4 32.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.225 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.5 mttm -108.5 168.51 9.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.777 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 16.8 t80 -65.79 -47.16 76.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.52 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.81 -34.63 76.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.677 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -68.96 -55.01 12.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.652 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.569 HD21 ' CD ' ' A' ' 42' ' ' GLU . 14.8 mt -57.86 -55.7 31.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.585 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.671 HH21 ' NH1' ' B' ' 172' ' ' ARG . 7.0 tpt85 -54.76 -49.55 70.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.431 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.531 ' OD2' ' CE2' ' C' ' 245' ' ' PHE . 3.9 t70 -57.9 -49.65 76.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.423 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.471 ' O ' ' CB ' ' A' ' 30' ' ' SER . 19.0 m -52.77 -43.51 65.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.662 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.4 mt -76.23 -23.6 15.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.677 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 1.9 m-80 -99.32 0.83 43.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.022 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 25' ' ' ASP . 75.9 p -133.46 -24.12 1.82 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.005 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 26' ' ' THR . 0.9 OUTLIER -103.43 157.96 16.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.891 0.377 . . . . 0.0 110.925 -179.751 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.55 ' SG ' ' CG ' ' B' ' 168' ' ' HIS . 29.0 t -129.5 29.47 5.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.355 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' ILE . 1.1 m-20 -90.76 93.46 9.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.45 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.638 ' HA ' HD12 ' A' ' 36' ' ' LEU . 3.0 mt -38.73 -40.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.783 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -57.47 -58.91 6.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.308 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.3 mt -58.72 -43.34 90.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.041 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 33' ' ' ILE . 81.5 mt -52.71 -43.7 65.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.17 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.1 -49.07 68.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.325 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.85 94.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.415 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 85.0 m -61.6 -53.54 54.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.282 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.483 HH21 HD22 ' B' ' 171' ' ' LEU . 17.4 mtp-105 -53.62 -39.13 64.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.307 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -61.2 -60.26 4.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.667 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.569 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.9 pt-20 -62.79 -36.23 82.43 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.485 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.469 ' CG ' HD13 ' B' ' 173' ' ' LEU . 12.3 t80 -59.5 -41.2 89.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.428 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -72.91 -55.04 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.535 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -45.86 -45.72 15.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.591 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -52.39 -33.2 42.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.42 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.4 mt -86.78 -33.82 19.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.482 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -80.36 -72.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.624 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.43 ' H ' HG22 ' A' ' 49' ' ' VAL . 6.3 m -90.91 177.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.574 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' VAL . 95.0 m-85 37.38 65.0 0.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 6.2 p-80 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.007 -0.996 . . . . 0.0 110.503 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.513 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -90.44 120.04 31.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.577 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 21.6 pt -106.91 148.87 10.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.626 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -102.09 146.06 28.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.546 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 31.6 t -129.98 106.71 13.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.185 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . 0.515 ' NZ ' ' OG1' ' B' ' 112' ' ' THR . 34.7 mttm -95.49 131.39 41.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.64 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 21.7 p -95.81 -150.07 0.32 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.42 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.942 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.4 OUTLIER -85.6 -46.1 11.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.439 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 50.3 p -70.51 11.99 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.547 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' B' ' 108' ' ' LEU . . . 73.97 12.74 81.21 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -72.67 119.25 16.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.762 0.315 . . . . 0.0 110.551 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . 0.515 ' OG1' ' NZ ' ' B' ' 106' ' ' LYS . 8.8 m -99.39 142.77 30.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.481 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 1.3 mt -133.09 124.69 50.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.541 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 6.4 m -94.15 125.13 38.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.254 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 27.3 mt -130.44 130.62 44.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.855 0.36 . . . . 0.0 110.861 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -77.31 121.4 23.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.119 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' B' ' 101' ' ' MET . 11.0 m -146.82 -175.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.916 -179.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.51 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 23.9 mm-40 -142.83 150.48 53.55 Favored Pre-proline 0 CA--C 1.53 0.204 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.178 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -46.71 -9.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.73 2.287 . . . . 0.0 112.47 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . 0.497 ' N ' ' O ' ' B' ' 118' ' ' GLU . 2.2 p -96.88 -30.83 12.91 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.972 -0.291 . . . . 0.0 110.929 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . 0.51 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 2.4 m-20 -43.85 139.45 2.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.995 0.426 . . . . 0.0 110.822 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 67.6 p -87.86 138.31 31.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.516 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 22.3 mm -46.48 -44.78 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.378 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -56.42 -38.19 71.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.392 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.49 HD22 ' C ' ' B' ' 125' ' ' ASN . 0.2 OUTLIER -64.01 -41.35 97.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.05 179.554 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 46.2 t -62.23 -44.02 98.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.943 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . 0.51 ' NZ ' ' O ' ' B' ' 141' ' ' GLN . 55.4 mttm -56.77 -40.74 76.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.058 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.37 98.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.29 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.426 ' HB3' ' HZ3' ' B' ' 133' ' ' LYS . 58.5 mttm -58.13 -50.39 73.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.377 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 67.0 mt -57.05 -49.01 80.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.391 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . 0.593 ' N ' HE22 ' B' ' 141' ' ' GLN . 1.0 OUTLIER -53.11 -30.72 38.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.343 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -71.05 -42.0 70.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.437 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . 0.426 ' HZ3' ' HB3' ' B' ' 129' ' ' LYS . 11.9 mptt -69.53 -64.08 0.95 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.24 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -77.11 -89.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.562 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . 0.41 ' H ' ' H ' ' B' ' 136' ' ' ILE . . . 161.41 5.01 0.05 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.532 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 37.6 mt -74.87 128.09 85.84 Favored Pre-proline 0 C--N 1.33 -0.28 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -56.04 150.15 49.06 Favored 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 121.666 1.577 . . . . 0.0 111.67 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -50.11 -39.37 51.27 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.336 2.024 . . . . 0.0 111.966 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.88 -44.65 80.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -79.15 31.36 0.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.593 HE22 ' N ' ' B' ' 131' ' ' GLN . 66.7 mt-30 -129.78 82.98 2.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.499 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.663 HH21 ' NH2' ' A' ' 24' ' ' ARG . 31.5 ttm-85 -90.05 113.86 25.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.588 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.401 HD12 ' HZ3' ' B' ' 127' ' ' LYS . 19.1 mt -94.54 131.37 40.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.526 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . 0.474 HG22 ' SG ' ' A' ' 31' ' ' CYS . 1.5 mt -124.88 142.75 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.528 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -164.85 148.39 8.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.736 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 61.58 20.17 11.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.022 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 75.48 27.62 63.11 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -146.62 148.89 32.55 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.837 0.351 . . . . 0.0 110.629 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -82.74 131.3 35.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.314 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 16.8 mt -79.23 136.89 37.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.38 . . . . 0.0 110.801 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -82.05 162.84 22.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.56 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.39 -41.9 15.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -83.2 41.14 2.88 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -139.67 179.98 6.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.765 0.317 . . . . 0.0 110.382 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . 0.426 ' OG1' ' OD1' ' B' ' 158' ' ' ASP . 67.5 p -119.97 168.42 11.17 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.722 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.05 -40.15 94.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.707 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . 0.506 ' C ' ' H ' ' B' ' 159' ' ' TYR . 5.7 t -58.38 -42.1 86.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.784 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . 0.426 ' OD1' ' OG1' ' B' ' 155' ' ' THR . 0.9 OUTLIER -54.85 -5.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.752 -179.738 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . 0.506 ' H ' ' C ' ' B' ' 157' ' ' SER . 69.6 m-85 -125.24 20.42 8.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.576 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 46.56 31.44 1.35 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.734 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 90.8 mt -79.81 102.09 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.426 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -79.32 -157.38 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.767 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -85.5 156.62 20.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.788 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 56.77 33.76 23.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.707 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 60.7 m -84.2 135.52 34.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.584 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 4.4 m -89.43 105.07 17.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.521 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.1 mt -92.34 129.37 38.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.712 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 168' ' ' HIS . . . . . 0.612 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.2 OUTLIER -85.69 101.8 13.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.269 179.754 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 62.8 tp -81.93 141.77 33.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.654 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.3 t -144.27 158.59 15.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.384 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.611 HD12 ' N ' ' B' ' 171' ' ' LEU . 7.4 mp -100.1 105.89 17.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.454 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . 0.671 ' NH1' HH21 ' A' ' 24' ' ' ARG . 14.8 ttt85 -53.39 120.71 6.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.644 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . 0.469 HD13 ' CG ' ' A' ' 43' ' ' PHE . 28.3 mt -99.31 101.07 12.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.478 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 72.1 mmt-85 51.05 -165.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.513 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 161.97 48.87 0.02 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.655 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 201' ' ' MET . . . . . . . . . . . . . 1.6 ptt? . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -94.13 126.97 39.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.545 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 19.4 pt -116.23 149.85 18.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.647 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -98.64 140.66 32.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.687 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 87.8 t -129.22 109.27 18.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.41 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -94.7 133.13 38.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.651 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 63.5 p -87.47 -154.62 0.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.314 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 208' ' ' LEU . . . . . 0.919 ' H ' HD22 ' C' ' 208' ' ' LEU . 0.5 OUTLIER -84.96 -37.01 20.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.432 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 5.2 p -78.73 -4.66 50.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.534 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 93.85 21.92 27.12 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -81.22 111.77 17.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 110.492 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 19.8 m -90.09 141.99 28.15 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.722 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 2.8 mt -136.76 126.8 39.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.531 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 29.1 m -92.31 111.16 22.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.187 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 20.7 mt -115.61 132.79 56.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.963 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -80.4 123.22 27.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.155 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 217' ' ' VAL . . . . . . . . . . . . . 12.2 m -147.05 169.14 4.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.944 0.402 . . . . 0.0 110.901 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 218' ' ' GLU . . . . . 0.622 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 18.3 mp0 -124.7 149.4 62.19 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.08 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.39 -24.81 4.34 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.475 2.117 . . . . 0.0 112.374 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.6 p -92.45 10.46 29.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.062 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 221' ' ' ASP . . . . . 0.622 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 39.3 m-20 -82.59 135.96 34.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.348 . . . . 0.0 110.299 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 222' ' ' THR . . . . . . . . . . . . . 10.8 p -83.63 136.3 34.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 27.2 mm -45.16 -45.36 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.277 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -55.71 -36.24 66.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.152 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 225' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -65.3 -40.18 93.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.98 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 12.0 t -63.87 -54.44 31.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.003 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -48.18 -41.04 25.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.204 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -61.39 -46.0 92.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.29 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -56.16 -40.7 74.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.295 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 4.9 mt -64.27 -48.34 85.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.211 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -53.31 -28.61 29.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.247 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -78.51 -30.28 47.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.614 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -81.18 -66.71 0.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.59 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -80.66 -108.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.624 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -173.92 14.99 0.04 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 236' ' ' ILE . . . . . . . . . . . . . 45.4 mt -85.49 115.27 60.75 Favored Pre-proline 0 C--N 1.33 -0.282 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -62.79 149.69 90.54 Favored 'Trans proline' 0 C--N 1.314 -1.258 0 C-N-CA 121.57 1.514 . . . . 0.0 111.595 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 238' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.6 Cg_endo -48.29 -59.71 1.14 Allowed 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 122.362 2.041 . . . . 0.0 111.907 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -44.45 -21.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.61 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 240' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' C' ' 238' ' ' PRO . 77.0 mt-30 -109.08 38.03 2.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.627 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 241' ' ' GLN . . . . . 0.559 ' O ' ' NE ' ' C' ' 272' ' ' ARG . 69.7 mt-30 -134.65 159.43 41.26 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.489 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 242' ' ' ARG . . . . . 0.456 ' NH2' ' OD1' ' D' ' 328' ' ' ASN . 25.1 ttm180 -170.31 110.3 0.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.279 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 18.5 mt -89.21 131.54 35.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.184 0.516 . . . . 0.0 110.939 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 244' ' ' ILE . . . . . 0.511 HG22 ' SG ' ' D' ' 331' ' ' CYS . 2.0 mt -129.64 122.85 56.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.068 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 245' ' ' PHE . . . . . 0.531 ' CE2' ' OD2' ' A' ' 25' ' ' ASP . 26.7 t80 -107.23 82.55 1.69 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.998 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 51.33 80.17 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 247' ' ' GLY . . . . . 0.675 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 60.39 43.28 98.85 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -151.0 94.56 2.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.758 0.313 . . . . 0.0 110.7 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 249' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -74.59 119.04 18.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.112 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 10.8 mt -82.39 135.44 35.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.864 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -80.53 161.6 24.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.534 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.67 -20.22 40.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.001 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -105.59 39.78 2.73 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -139.49 175.42 9.58 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 255' ' ' THR . . . . . 0.419 ' OG1' ' OD1' ' C' ' 258' ' ' ASP . 24.5 p -114.49 165.32 12.87 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.886 0.374 . . . . 0.0 110.659 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.42 -48.46 81.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.697 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 257' ' ' SER . . . . . 0.495 ' C ' ' H ' ' C' ' 259' ' ' TYR . 11.5 p -53.19 -38.62 62.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.841 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 258' ' ' ASP . . . . . 0.419 ' OD1' ' OG1' ' C' ' 255' ' ' THR . 10.4 m-20 -54.81 -5.09 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.851 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 259' ' ' TYR . . . . . 0.495 ' H ' ' C ' ' C' ' 257' ' ' SER . 75.0 m-85 -129.45 22.58 5.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.611 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 48.9 29.04 2.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.796 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 92.1 mt -80.02 98.92 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.451 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -81.05 -157.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.732 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.16 161.22 22.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.728 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 55.54 33.93 22.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.691 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 39.7 m -87.84 131.23 34.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.58 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 24.1 m -90.74 117.72 29.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.583 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 10.7 mt -111.99 153.26 27.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.431 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 268' ' ' HIS . . . . . 0.419 ' NE2' HD11 ' D' ' 333' ' ' ILE . 59.3 m80 -109.59 120.3 42.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.844 0.354 . . . . 0.0 110.251 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 269' ' ' LEU . . . . . 0.674 HD23 ' N ' ' C' ' 270' ' ' VAL . 6.0 tt -93.0 123.39 36.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 -179.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 270' ' ' VAL . . . . . 0.674 ' N ' HD23 ' C' ' 269' ' ' LEU . 1.6 t -127.02 136.16 61.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.209 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 271' ' ' LEU . . . . . 0.696 ' N ' HD12 ' C' ' 271' ' ' LEU . 7.4 mp -78.35 134.01 37.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.769 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 272' ' ' ARG . . . . . 0.559 ' NE ' ' O ' ' C' ' 241' ' ' GLN . 13.6 mtt180 -73.16 140.17 46.85 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.307 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 273' ' ' LEU . . . . . 0.48 ' C ' ' H ' ' C' ' 275' ' ' GLY . 19.3 mt -116.06 60.59 0.72 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.531 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 23.3 ptt85 -72.01 39.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.593 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 275' ' ' GLY . . . . . 0.48 ' H ' ' C ' ' C' ' 273' ' ' LEU . . . 60.89 -123.81 33.75 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 276' ' ' CYS . . . . . 0.435 ' OXT' ' SG ' ' C' ' 276' ' ' CYS . 20.9 p . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.559 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.682 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 10.9 m -72.38 92.12 1.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.733 0.302 . . . . 0.0 110.587 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 311' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -138.64 107.56 5.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.402 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 312' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -128.73 -176.47 3.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.459 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 313' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -106.51 149.52 27.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.503 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 314' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' D' ' 314' ' ' ASP . 31.6 p30 -79.92 92.88 5.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.542 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 315' ' ' LEU . . . . . . . . . . . . . 17.4 mt -98.14 39.36 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.513 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 7.2 t -80.91 6.29 13.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.668 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -147.45 72.33 1.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.657 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 11.1 m95 -132.14 165.74 23.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.395 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -109.31 158.22 18.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.43 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 320' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -56.37 -52.58 64.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.522 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -61.1 -44.73 96.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -53.46 -51.59 62.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.656 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.501 HD21 ' CD ' ' D' ' 342' ' ' GLU . 12.9 mt -60.0 -57.62 12.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.468 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 324' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -53.5 -53.02 57.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.642 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 325' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' D' ' 329' ' ' THR . 17.8 m-20 -56.31 -49.45 74.26 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.573 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 326' ' ' THR . . . . . 0.53 ' O ' ' N ' ' D' ' 330' ' ' SER . 64.1 m -50.94 -45.19 60.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.61 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 327' ' ' ILE . . . . . 0.43 HG23 HD22 ' D' ' 336' ' ' LEU . 95.1 mt -68.31 -33.99 63.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.61 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 328' ' ' ASN . . . . . 0.456 ' OD1' ' NH2' ' C' ' 242' ' ' ARG . 12.2 m-80 -92.91 1.45 57.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.915 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.509 ' N ' ' O ' ' D' ' 325' ' ' ASP . 73.6 p -129.81 -10.59 4.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.869 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 330' ' ' SER . . . . . 0.53 ' N ' ' O ' ' D' ' 326' ' ' THR . 3.0 t -118.7 170.04 9.31 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.967 0.413 . . . . 0.0 110.97 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 331' ' ' CYS . . . . . 0.675 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 38.4 t -139.88 24.41 2.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.406 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -87.23 97.36 10.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.344 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . 0.419 HD11 ' NE2' ' C' ' 268' ' ' HIS . 1.6 mt -38.71 -45.94 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.894 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -54.68 -58.84 5.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.425 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 335' ' ' LEU . . . . . 0.492 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 10.7 mt -56.43 -39.92 73.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.14 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 336' ' ' LEU . . . . . 0.43 HD22 HG23 ' D' ' 327' ' ' ILE . 96.8 mt -59.92 -42.62 94.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.472 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -68.99 -49.21 59.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.359 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.95 99.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.445 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 339' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 81.6 m -60.33 -53.7 54.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.089 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 340' ' ' ARG . . . . . . . . . . . . . 12.3 mtp85 -55.12 -42.03 72.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.194 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -56.4 -56.9 15.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.832 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 342' ' ' GLU . . . . . 0.501 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.5 pt-20 -68.28 -38.52 81.79 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.678 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 343' ' ' PHE . . . . . 0.411 ' CD1' HD13 ' C' ' 273' ' ' LEU . 12.5 t80 -58.24 -33.21 69.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.542 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -85.99 -52.55 5.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.249 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -48.24 -34.0 9.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.155 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 70.8 mtt-85 -67.32 -31.48 71.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.616 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 12.7 mt -89.7 -44.4 10.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.619 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -65.81 -42.88 90.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.683 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 349' ' ' VAL . . . . . 0.519 ' O ' ' N ' ' D' ' 351' ' ' HIS . 2.6 t 41.75 -129.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.554 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 350' ' ' TYR . . . . . 0.432 ' H ' HG12 ' D' ' 349' ' ' VAL . 68.6 m-85 34.2 31.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.967 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 351' ' ' HIS . . . . . 0.519 ' N ' ' O ' ' D' ' 349' ' ' VAL . 55.2 t-80 . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.533 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 10' ' ' THR . . . . . . . . 0 CA--C 1.524 0.624 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.491 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.7 OUTLIER 34.75 55.25 0.71 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.205 0.526 . . . . 0.0 111.055 179.714 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.509 ' O ' ' CZ ' ' A' ' 13' ' ' TYR . 33.4 mttp -80.17 60.95 3.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.53 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.41 ' C ' ' CG ' ' A' ' 13' ' ' TYR . 1.5 mptp? -63.52 -173.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.459 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.509 ' CZ ' ' O ' ' A' ' 11' ' ' LYS . 20.5 m-85 -151.26 141.46 22.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.417 ' O ' ' OD2' ' A' ' 14' ' ' ASP . 4.4 p-10 -83.63 92.78 7.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.53 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.408 HD13 ' OE1' ' A' ' 42' ' ' GLU . 12.1 mt -98.28 45.11 1.02 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.497 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 82.7 p -84.47 16.02 3.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.722 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.2 pttm -169.55 84.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.935 0.398 . . . . 0.0 110.654 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -134.8 170.78 15.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.264 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -115.87 163.95 15.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.644 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -64.24 -49.72 70.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.483 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.66 -36.68 81.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.609 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -64.99 -56.64 11.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.503 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.425 HD21 ' CD ' ' A' ' 42' ' ' GLU . 15.2 mt -55.87 -56.76 16.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.459 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.509 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 5.2 tpt180 -52.95 -40.71 63.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.44 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 29' ' ' THR . 14.3 m-20 -64.89 -48.37 74.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.389 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 30' ' ' SER . 7.8 m -54.08 -43.78 70.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.639 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.695 HD11 ' SG ' ' A' ' 39' ' ' CYS . 96.7 mt -76.05 -27.07 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.73 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.753 HD21 HH22 ' B' ' 142' ' ' ARG . 0.9 OUTLIER -90.66 -5.23 56.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.091 -179.624 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 25' ' ' ASP . 75.2 p -129.66 -43.77 1.24 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.04 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.5 OUTLIER -78.69 149.21 32.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.957 0.408 . . . . 0.0 111.093 -179.483 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.542 ' SG ' ' CG ' ' B' ' 168' ' ' HIS . 21.5 t -122.72 30.32 6.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.255 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' ILE . 16.5 m-20 -93.47 93.52 8.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.445 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.68 ' HA ' HD12 ' A' ' 36' ' ' LEU . 2.2 mt -38.46 -41.04 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.953 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -57.48 -59.0 5.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.374 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.9 mt -58.43 -38.52 77.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.146 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.68 HD12 ' HA ' ' A' ' 33' ' ' ILE . 65.6 mt -58.91 -43.98 91.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.104 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.17 -48.65 77.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.189 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.416 ' O ' ' HG2' ' A' ' 41' ' ' GLU . . . -65.75 -41.2 92.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.251 179.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.695 ' SG ' HD11 ' A' ' 27' ' ' ILE . 46.5 t -64.02 -45.11 90.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.057 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.8 mtp85 -64.77 -42.72 94.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.244 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 42' ' ' GLU . 2.2 pt-20 -62.97 -45.1 94.04 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.918 -178.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 41' ' ' GLU . 2.8 pt-20 -67.63 -36.3 80.52 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.085 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -60.99 -44.99 96.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.285 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -66.38 -51.54 56.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.269 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -46.91 -55.4 8.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.243 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 mtp85 -46.12 -41.36 12.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.503 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.96 -36.14 69.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.459 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -71.8 -73.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.544 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.402 ' H ' HG22 ' A' ' 49' ' ' VAL . 18.8 m -96.09 176.43 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.511 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -85.32 32.16 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.568 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.529 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.517 ' N ' ' O ' ' B' ' 117' ' ' VAL . 27.7 ttp . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -68.97 130.42 42.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.553 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 5.0 pt -131.55 142.97 41.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.557 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -93.01 127.72 38.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.576 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 82.2 t -114.22 106.96 21.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.363 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -79.49 120.79 24.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.387 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . 0.45 ' HB ' HD22 ' B' ' 108' ' ' LEU . 69.1 p -88.32 -162.33 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.606 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 1.074 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.0 OUTLIER -77.68 -59.48 2.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.178 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 50.8 p -57.7 -2.99 0.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.56 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' B' ' 108' ' ' LEU . . . 91.73 7.47 64.66 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -70.48 115.21 9.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 0.0 110.456 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.9 m -92.12 110.6 21.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.615 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.418 HG21 HD13 ' B' ' 113' ' ' ILE . 6.7 mt -96.83 148.74 5.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.635 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 17.4 m -107.59 98.31 7.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.471 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.594 HD22 ' N ' ' B' ' 115' ' ' LEU . 3.7 mm? -92.77 129.82 38.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.854 0.359 . . . . 0.0 110.777 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -90.21 116.72 28.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.893 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' B' ' 101' ' ' MET . 12.6 m -146.81 -161.68 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.053 0.454 . . . . 0.0 111.113 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.529 ' N ' ' OD2' ' B' ' 121' ' ' ASP . 44.5 mt-10 -150.13 152.42 33.68 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.718 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.22 -43.51 20.98 Favored 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.721 2.281 . . . . 0.0 112.853 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.49 17.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.53 -179.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' B' ' 118' ' ' GLU . 5.1 m-20 -92.43 138.3 31.63 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.349 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 6.5 p -81.97 138.51 34.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.965 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 22.0 mm -47.86 -52.47 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.198 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -46.68 -42.9 17.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.263 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.49 ' OD1' ' NZ ' ' B' ' 129' ' ' LYS . 37.1 t-20 -61.13 -39.84 91.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.06 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 21.7 t -62.6 -48.46 88.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.152 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . 0.457 ' HA ' HE22 ' B' ' 141' ' ' GLN . 86.8 mttt -53.67 -38.24 63.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.287 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.96 -40.15 94.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.37 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.49 ' NZ ' ' OD1' ' B' ' 125' ' ' ASN . 60.7 mttp -61.39 -44.19 97.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.303 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 9.2 mt -62.54 -51.82 67.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.297 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . 0.436 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.7 OUTLIER -51.19 -32.67 24.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.43 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -74.35 -26.51 60.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.424 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt -81.08 -63.95 1.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.415 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -85.57 -109.23 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.634 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -169.41 16.93 0.06 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 68.1 mt -83.86 114.72 55.83 Favored Pre-proline 0 CA--C 1.532 0.279 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -64.35 147.77 90.84 Favored 'Trans proline' 0 C--N 1.315 -1.193 0 C-N-CA 121.512 1.474 . . . . 0.0 111.525 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.488 ' O ' ' N ' ' B' ' 140' ' ' GLN . 2.6 Cg_endo -48.1 -62.59 0.41 Allowed 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 122.344 2.029 . . . . 0.0 111.85 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -39.98 -24.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.811 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' B' ' 138' ' ' PRO . 12.2 mm100 -105.83 43.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.551 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.457 HE22 ' HA ' ' B' ' 127' ' ' LYS . 9.0 mt-30 -134.34 155.14 50.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.618 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.753 HH22 HD21 ' A' ' 28' ' ' ASN . 11.4 ttm180 -170.39 102.06 0.27 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.058 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 12.3 mt -84.16 133.36 34.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.006 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . 0.506 HG22 ' SG ' ' A' ' 31' ' ' CYS . 1.7 mt -127.52 142.17 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.069 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . 0.431 ' O ' ' HB3' ' B' ' 146' ' ' ALA . 68.1 t80 -146.72 104.24 3.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.762 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' B' ' 145' ' ' PHE . . . 65.74 69.88 0.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.842 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 41.31 46.78 4.43 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -150.8 120.73 7.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.34 . . . . 0.0 110.568 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -83.33 126.45 32.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.327 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 12.9 mt -81.04 126.59 31.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.727 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -68.95 161.97 27.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.544 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.33 -33.3 23.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.971 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -89.98 41.87 2.97 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -139.64 176.35 8.8 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 43.8 p -116.72 163.66 15.8 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.723 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . 0.446 ' CD1' HG21 ' B' ' 117' ' ' VAL . 64.5 mt -60.6 -37.5 81.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.533 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . 0.482 ' C ' ' H ' ' B' ' 159' ' ' TYR . 10.4 t -61.51 -32.4 72.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.736 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -71.71 14.95 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.715 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . 0.482 ' H ' ' C ' ' B' ' 157' ' ' SER . 55.5 m-85 -140.64 6.62 2.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.53 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 59.75 28.73 18.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.631 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 97.0 mt -80.95 98.95 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.473 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -79.77 -157.56 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.618 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 31.9 ptt-85 -83.87 158.29 21.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.704 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 56.65 31.92 20.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.767 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 46.9 m -84.91 136.49 33.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.66 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 10.6 m -90.93 103.41 16.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.498 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 10.2 mt -95.92 121.2 37.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.639 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 168' ' ' HIS . . . . . 0.619 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.2 OUTLIER -77.81 97.01 5.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.27 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 43.6 tp -81.35 132.66 35.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.734 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . 0.408 ' CG2' HD13 ' A' ' 36' ' ' LEU . 3.0 t -130.51 161.59 40.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.24 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.691 HD12 ' N ' ' B' ' 171' ' ' LEU . 6.9 mp -97.85 110.17 22.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.498 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -65.68 103.19 0.83 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.497 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 13.9 mt -77.66 167.78 21.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.622 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -80.31 162.73 24.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.473 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . -170.92 -163.17 24.51 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.985 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 201' ' ' MET . . . . . 0.525 ' N ' ' O ' ' C' ' 217' ' ' VAL . 31.4 ttp . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -89.01 110.72 21.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.779 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 18.7 pt -107.95 147.09 13.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.339 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -98.44 135.49 39.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.798 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 59.0 t -124.0 110.52 25.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.057 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 206' ' ' LYS . . . . . 0.511 ' NZ ' ' OG1' ' C' ' 212' ' ' THR . 39.3 mttm -95.55 137.2 34.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.971 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 69.6 p -89.71 -160.7 0.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.146 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 208' ' ' LEU . . . . . 0.884 HD12 ' N ' ' C' ' 208' ' ' LEU . 1.6 mp -100.98 23.2 11.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 110.571 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 2.2 p -136.57 0.22 2.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.41 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 92.51 29.57 10.85 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -103.2 110.77 22.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.807 0.337 . . . . 0.0 110.567 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 212' ' ' THR . . . . . 0.511 ' OG1' ' NZ ' ' C' ' 206' ' ' LYS . 10.2 m -93.79 146.98 23.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.627 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 2.6 mt -138.16 127.25 32.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.906 0.384 . . . . 0.0 110.663 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 8.6 m -92.35 115.7 28.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.309 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 215' ' ' LEU . . . . . . . . . . . . . 17.3 mt -117.16 123.28 46.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.89 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -81.5 121.43 26.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.078 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 217' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' C' ' 201' ' ' MET . 29.2 m -149.0 -165.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.99 0.424 . . . . 0.0 111.008 -179.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 218' ' ' GLU . . . . . 0.549 ' H ' ' CG ' ' C' ' 221' ' ' ASP . 2.8 mt-10 -142.39 148.52 47.75 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.751 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.92 -25.24 2.6 Favored 'Trans proline' 0 C--N 1.31 -1.499 0 C-N-CA 122.412 2.074 . . . . 0.0 112.364 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.9 p -80.49 -28.97 37.39 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.954 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 221' ' ' ASP . . . . . 0.549 ' CG ' ' H ' ' C' ' 218' ' ' GLU . 0.9 OUTLIER -44.85 137.77 3.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.39 . . . . 0.0 110.664 -179.714 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 222' ' ' THR . . . . . 0.403 ' O ' ' N ' ' C' ' 225' ' ' ASN . 19.9 p -87.9 138.14 31.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.509 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 18.6 mm -42.15 -52.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.59 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -51.42 -36.25 42.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.568 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 225' ' ' ASN . . . . . 0.545 HD22 ' C ' ' C' ' 225' ' ' ASN . 0.1 OUTLIER -65.3 -41.22 94.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.863 0.363 . . . . 0.0 110.067 179.572 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 41.3 t -62.87 -45.15 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.979 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -55.62 -41.99 74.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.016 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.93 91.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.236 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 229' ' ' LYS . . . . . 0.534 ' HZ3' ' ND2' ' C' ' 225' ' ' ASN . 44.6 mttp -55.95 -46.59 78.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.247 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 41.9 mt -59.59 -40.02 80.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.293 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -59.06 -35.1 72.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.157 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.55 -24.96 61.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.481 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 19.7 mmtm -82.09 -62.26 1.68 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.593 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -88.31 -106.3 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.565 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . -173.03 11.78 0.04 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.831 -0.907 . . . . 0.0 110.831 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 236' ' ' ILE . . . . . 0.486 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 17.6 mt -84.39 115.63 61.3 Favored Pre-proline 0 C--N 1.329 -0.295 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.01 151.2 79.97 Favored 'Trans proline' 0 C--N 1.314 -1.243 0 C-N-CA 121.504 1.469 . . . . 0.0 111.679 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 238' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.8 Cg_endo -48.49 -62.33 0.45 Allowed 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.404 2.069 . . . . 0.0 111.919 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 239' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -43.51 -20.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.633 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 240' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' C' ' 238' ' ' PRO . 81.6 mt-30 -106.54 33.14 4.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.522 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 241' ' ' GLN . . . . . 0.508 ' N ' ' O ' ' C' ' 238' ' ' PRO . 70.6 mt-30 -134.36 145.29 48.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.675 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 242' ' ' ARG . . . . . 0.765 HH21 ' HE ' ' C' ' 272' ' ' ARG . 40.2 ttm-85 -155.81 117.63 4.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.131 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 12.5 mt -96.54 136.33 37.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.153 0.502 . . . . 0.0 111.275 -179.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 2.1 mt -129.84 120.86 50.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.898 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 245' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -106.85 75.25 1.04 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.886 0.374 . . . . 0.0 111.055 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 54.05 88.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 247' ' ' GLY . . . . . 0.702 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 56.33 40.97 86.65 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -150.32 91.8 1.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.773 0.32 . . . . 0.0 110.544 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 249' ' ' GLN . . . . . 0.471 ' CD ' ' NH1' ' C' ' 242' ' ' ARG . 8.2 tt0 -75.01 112.24 11.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.98 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 9.7 mt -73.32 130.36 40.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.93 0.395 . . . . 0.0 110.834 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -80.44 158.75 25.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.421 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.44 -0.96 43.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.872 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -123.04 36.71 3.0 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.61 -177.82 4.79 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 255' ' ' THR . . . . . 0.462 ' C ' ' H ' ' C' ' 257' ' ' SER . 33.4 p -122.06 158.83 28.36 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.886 0.374 . . . . 0.0 110.601 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 256' ' ' LEU . . . . . 0.412 ' CD1' HG21 ' C' ' 217' ' ' VAL . 95.1 mt -60.67 -1.09 0.34 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.644 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 257' ' ' SER . . . . . 0.482 ' C ' ' H ' ' C' ' 259' ' ' TYR . 93.8 p -96.47 -30.3 13.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.686 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.81 12.97 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.647 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 259' ' ' TYR . . . . . 0.482 ' H ' ' C ' ' C' ' 257' ' ' SER . 74.7 m-85 -140.82 -0.61 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.552 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 260' ' ' ASN . . . . . 0.432 ' O ' ' OE1' ' C' ' 262' ' ' GLN . 9.0 t-20 60.82 54.18 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.633 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 96.7 mt -98.22 105.34 17.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.417 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 262' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' C' ' 260' ' ' ASN . 2.4 mp0 -84.09 -168.04 1.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.818 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -73.29 160.28 32.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.794 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 51.7 31.7 8.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.76 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 38.2 m -86.0 131.75 34.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.583 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 12.2 m -85.33 129.36 34.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.55 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 10.4 mt -123.84 132.56 53.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.582 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 268' ' ' HIS . . . . . 0.666 ' ND1' ' N ' ' C' ' 268' ' ' HIS . 0.1 OUTLIER -85.17 111.7 20.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.097 179.831 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 269' ' ' LEU . . . . . 0.595 ' O ' HD11 ' C' ' 208' ' ' LEU . 45.5 tp -88.33 133.64 34.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.63 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 270' ' ' VAL . . . . . 0.408 HG11 HG23 ' D' ' 327' ' ' ILE . 2.0 t -133.26 140.33 47.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.376 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 271' ' ' LEU . . . . . 0.741 ' N ' HD12 ' C' ' 271' ' ' LEU . 6.7 mp -82.64 100.57 10.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.522 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 272' ' ' ARG . . . . . 0.765 ' HE ' HH21 ' C' ' 242' ' ' ARG . 17.2 ttt-85 -55.56 110.16 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.6 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 273' ' ' LEU . . . . . . . . . . . . . 43.3 mt -74.06 94.08 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.576 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 274' ' ' ARG . . . . . 0.491 HH11 ' NH1' ' C' ' 272' ' ' ARG . 0.0 OUTLIER -87.47 110.05 20.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.383 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . -44.22 -55.56 5.75 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.628 179.934 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.658 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 9.0 m -77.49 64.22 2.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 110.575 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 311' ' ' LYS . . . . . . . . . . . . . 47.1 mttp 38.42 83.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.717 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 312' ' ' LYS . . . . . 0.525 ' O ' ' CD1' ' D' ' 313' ' ' TYR . 59.6 mmtt -69.59 -158.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.475 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 313' ' ' TYR . . . . . 0.525 ' CD1' ' O ' ' D' ' 312' ' ' LYS . 6.0 m-85 -150.55 122.33 8.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.6 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.92 92.95 5.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.493 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 315' ' ' LEU . . . . . 0.426 HD13 ' OE1' ' D' ' 342' ' ' GLU . 10.6 mt -91.45 43.29 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.492 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 72.3 m -83.61 18.45 1.9 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.769 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -172.68 83.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 110.69 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -132.82 170.98 14.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.309 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -119.64 166.19 13.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.724 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 320' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' D' ' 320' ' ' TYR . 10.5 t80 -60.5 -48.82 80.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.558 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -59.66 -48.7 80.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.798 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -55.19 -57.56 11.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.543 HD21 ' CD ' ' D' ' 342' ' ' GLU . 15.4 mt -56.81 -55.67 31.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.743 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 324' ' ' ARG . . . . . 0.682 ' NH1' HD21 ' D' ' 328' ' ' ASN . 7.4 tpt85 -52.99 -47.76 67.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.552 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 325' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' D' ' 329' ' ' THR . 1.0 OUTLIER -63.36 -47.42 82.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.327 179.902 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 326' ' ' THR . . . . . 0.507 ' O ' ' N ' ' D' ' 330' ' ' SER . 21.7 m -53.49 -45.3 69.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.596 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 327' ' ' ILE . . . . . 0.408 HG23 HG11 ' C' ' 270' ' ' VAL . 95.8 mt -75.65 -25.43 17.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.733 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 328' ' ' ASN . . . . . 0.682 HD21 ' NH1' ' D' ' 324' ' ' ARG . 0.9 OUTLIER -95.16 -1.5 51.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.064 -179.648 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.464 ' N ' ' O ' ' D' ' 325' ' ' ASP . 62.6 p -135.15 -43.05 0.72 Allowed 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 121.002 -0.279 . . . . 0.0 111.245 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 330' ' ' SER . . . . . 0.507 ' N ' ' O ' ' D' ' 326' ' ' THR . 0.4 OUTLIER -75.4 163.44 27.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.017 0.437 . . . . 0.0 111.218 -179.289 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 331' ' ' CYS . . . . . 0.702 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 27.6 p -140.86 88.49 2.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.468 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 332' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -160.14 98.88 1.33 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.342 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . 0.412 HG21 HD13 ' D' ' 333' ' ' ILE . 2.1 mt -38.82 -43.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.884 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -54.79 -58.93 5.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.346 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 335' ' ' LEU . . . . . 0.492 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 7.3 mt -60.43 -51.09 70.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.115 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 45.1 mt -50.42 -45.79 55.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.52 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.37 -48.72 80.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.303 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 338' ' ' ALA . . . . . 0.419 ' O ' ' HG2' ' D' ' 341' ' ' GLU . . . -68.03 -32.36 72.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.475 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 339' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 76.7 m -65.31 -45.97 82.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.115 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 340' ' ' ARG . . . . . 0.426 ' HE ' ' HB2' ' C' ' 271' ' ' LEU . 14.3 mtp-105 -67.81 -43.03 80.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.222 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 341' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' D' ' 342' ' ' GLU . 4.8 pt-20 -60.68 -45.85 92.61 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.798 -179.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 342' ' ' GLU . . . . . 0.543 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.1 pt-20 -68.39 -39.05 81.84 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.232 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 343' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.82 -53.04 62.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.014 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 344' ' ' HIS . . . . . 0.516 ' O ' ' N ' ' D' ' 348' ' ' LYS . 76.2 m-70 -59.66 -52.34 65.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.343 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 345' ' ' ARG . . . . . 0.442 ' O ' HG22 ' D' ' 349' ' ' VAL . 0.0 OUTLIER -47.67 -40.77 20.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.164 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -66.43 -47.52 72.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.517 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . 0.424 HD22 ' N ' ' D' ' 347' ' ' LEU . 4.3 mm? -77.62 -12.23 59.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.339 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 348' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' D' ' 344' ' ' HIS . 81.2 tttt -84.32 -70.11 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.494 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 349' ' ' VAL . . . . . 0.497 ' O ' ' CD1' ' D' ' 350' ' ' TYR . 6.1 m -92.36 179.22 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.459 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 350' ' ' TYR . . . . . 0.517 ' O ' ' CG ' ' D' ' 351' ' ' HIS . 71.9 m-85 -152.68 31.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.509 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 351' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' D' ' 350' ' ' TYR . 18.0 p80 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.74 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.703 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.9 m -78.58 95.99 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 0.0 110.53 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -140.18 60.28 1.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.587 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.543 ' N ' ' CD ' ' A' ' 12' ' ' LYS . 2.9 mptp? -90.14 177.53 6.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.464 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -106.93 117.52 34.28 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.525 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -81.05 92.97 6.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.599 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.1 mt -89.24 42.58 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.459 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.8 p -79.74 17.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -171.82 82.31 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.908 0.385 . . . . 0.0 110.707 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -131.81 167.15 20.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.295 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.53 166.91 12.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.684 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.507 ' OH ' ' N ' ' B' ' 176' ' ' GLY . 8.9 t80 -62.31 -48.06 81.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.561 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.74 -36.84 79.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.728 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -68.23 -54.54 16.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.802 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.573 HD21 ' CD ' ' A' ' 42' ' ' GLU . 15.5 mt -57.96 -57.61 12.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.606 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.7 ' NH1' HD21 ' A' ' 28' ' ' ASN . 14.7 tpt85 -53.15 -53.52 49.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.371 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' A' ' 29' ' ' THR . 6.1 t70 -53.16 -51.25 62.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.299 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.571 ' O ' ' N ' ' A' ' 30' ' ' SER . 24.3 m -51.27 -53.18 38.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.612 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.423 ' C ' HD22 ' A' ' 28' ' ' ASN . 88.3 mt -66.19 -20.01 26.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.64 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.7 HD21 ' NH1' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -103.59 -1.68 27.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.414 -179.488 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.537 ' N ' ' O ' ' A' ' 25' ' ' ASP . 41.7 p -139.82 -1.16 1.64 Allowed 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.861 -0.335 . . . . 0.0 111.133 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 26' ' ' THR . 3.1 t -115.93 168.94 9.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.009 0.433 . . . . 0.0 110.901 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.7 p -147.68 85.81 1.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.44 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -160.34 104.71 1.46 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.69 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.723 ' H ' HD12 ' A' ' 33' ' ' ILE . 1.1 mp -41.22 -42.56 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.56 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -56.45 -56.68 18.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.297 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.491 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 11.5 mt -63.25 -50.15 71.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.173 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.8 mt -52.05 -45.46 64.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.447 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.24 -49.31 70.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.815 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.7 -44.04 97.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.614 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' A' ' 35' ' ' LEU . 80.4 m -58.18 -53.55 57.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.468 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.6 mtp-105 -57.07 -41.37 78.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.417 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -55.91 -59.68 4.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.573 ' CD ' HD21 ' A' ' 23' ' ' LEU . 3.8 pt-20 -63.08 -36.08 82.41 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.806 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.435 ' CD1' HD13 ' B' ' 173' ' ' LEU . 4.5 t80 -58.3 -41.18 83.88 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.38 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -72.44 -51.59 19.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.385 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -45.9 -48.83 16.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.335 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.419 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 72.3 mtt-85 -52.73 -33.73 49.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.406 179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.5 mt -81.45 -50.23 9.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.509 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 49' ' ' VAL . 69.8 tttt -53.7 -67.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.573 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.425 ' O ' ' O ' ' A' ' 48' ' ' LYS . 5.0 t 53.77 106.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.512 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.502 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 11.6 p90 -78.43 90.5 4.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.516 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 16.3 p80 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.512 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.564 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . 0.423 ' CD ' ' CG2' ' B' ' 114' ' ' THR . 18.5 tt0 -95.93 140.67 30.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.121 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 3.8 pt -135.01 156.4 39.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.904 0.383 . . . . 0.0 110.812 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -111.11 127.32 55.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.395 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 86.9 t -113.59 110.44 32.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.397 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -95.56 133.74 39.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.768 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 21.7 p -92.59 -163.49 1.05 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.307 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.935 HD22 ' H ' ' B' ' 108' ' ' LEU . 0.5 OUTLIER -84.25 -23.43 30.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.343 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 5.6 p -83.93 2.35 39.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.468 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.27 12.56 80.49 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -82.15 122.86 28.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.751 0.31 . . . . 0.0 110.543 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.5 m -99.75 134.48 42.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.626 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 4.2 mt -122.97 129.58 75.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . 0.423 ' CG2' ' CD ' ' B' ' 102' ' ' GLN . 8.4 m -88.52 101.44 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.348 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.473 HD22 ' N ' ' B' ' 115' ' ' LEU . 4.2 mm? -98.97 125.41 44.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.987 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -87.91 117.89 27.07 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . 0.564 ' O ' ' N ' ' B' ' 101' ' ' MET . 6.0 m -141.96 -158.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.334 0.588 . . . . 0.0 111.563 -178.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.524 ' N ' ' OD2' ' B' ' 121' ' ' ASP . 5.6 mt-10 -146.99 170.43 7.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.394 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -75.24 -16.58 19.61 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 122.385 2.057 . . . . 0.0 112.354 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.2 p -100.86 6.89 43.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.748 0.309 . . . . 0.0 110.739 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . 0.524 ' OD2' ' N ' ' B' ' 118' ' ' GLU . 45.1 m-20 -78.53 141.78 37.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.427 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 82.3 p -85.66 143.36 28.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 25.2 mm -51.74 -46.38 38.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.204 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' B' ' 125' ' ' ASN . 11.0 pt-20 -53.68 -40.32 65.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.294 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.499 ' OD1' ' NZ ' ' B' ' 129' ' ' LYS . 41.8 t-20 -63.17 -37.99 89.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.175 179.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 46.0 t -64.28 -49.91 78.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.158 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -53.04 -38.34 62.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.161 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.55 -41.32 96.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.371 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.499 ' NZ ' ' OD1' ' B' ' 125' ' ' ASN . 36.3 mttp -60.37 -43.35 96.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.346 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 9.6 mt -63.67 -42.87 97.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.285 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . 0.432 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.5 OUTLIER -60.64 -24.91 65.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.425 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -84.95 -19.74 31.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.689 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -89.83 -56.75 3.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.826 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -90.48 -106.21 0.09 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.757 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -172.97 22.67 0.07 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.526 ' O ' ' NE2' ' B' ' 141' ' ' GLN . 15.8 mt -95.53 111.14 54.43 Favored Pre-proline 0 C--N 1.329 -0.292 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -63.2 153.35 74.67 Favored 'Trans proline' 0 C--N 1.314 -1.239 0 C-N-CA 121.518 1.479 . . . . 0.0 111.651 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' B' ' 141' ' ' GLN . 2.7 Cg_endo -46.9 -65.0 0.2 Allowed 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.502 2.134 . . . . 0.0 111.859 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.33 -19.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.666 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' B' ' 138' ' ' PRO . 32.0 mm-40 -112.22 36.15 3.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.523 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' B' ' 136' ' ' ILE . 51.9 mt-30 -134.43 160.55 37.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.551 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.413 ' O ' HD12 ' B' ' 169' ' ' LEU . 23.4 ttm180 -170.21 139.72 1.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.042 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 31.3 mt -120.29 137.85 54.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.989 0.423 . . . . 0.0 110.998 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . 0.413 ' O ' ' CG ' ' B' ' 168' ' ' HIS . 1.7 mt -129.34 123.29 57.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.055 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -141.57 146.47 36.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.428 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 62.21 21.53 12.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.618 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 73.72 30.01 62.47 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 65.5 mttt -146.44 143.47 29.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.796 0.331 . . . . 0.0 110.636 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -78.05 134.23 37.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.382 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 12.8 mt -85.33 136.68 33.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.751 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -80.53 160.31 25.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.469 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.75 -29.1 36.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.839 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -92.86 40.26 2.86 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 33.2 mmt-85 -139.64 178.72 7.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.751 0.31 . . . . 0.0 110.44 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 76.5 p -119.73 179.03 4.36 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.583 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 92.0 mt -80.46 -13.22 59.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.773 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 4.2 p -87.89 -14.38 39.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.586 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.33 -9.64 58.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.663 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -118.84 16.0 13.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.598 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 54.92 18.11 2.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.973 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 78.1 mt -65.76 91.38 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.287 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -74.38 -157.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.595 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . 0.401 ' HG2' ' H ' ' B' ' 163' ' ' ARG . 11.0 ptp180 -84.37 156.67 21.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.726 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 59.89 32.83 21.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.679 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 38.2 m -85.12 131.88 34.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.585 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 9.0 m -93.36 97.0 10.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.6 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . 0.428 ' H ' HD12 ' B' ' 167' ' ' LEU . 3.4 mp -88.6 154.75 20.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.621 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 168' ' ' HIS . . . . . 0.655 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.0 OUTLIER -104.31 113.96 27.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.075 179.522 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . 0.413 HD12 ' O ' ' B' ' 142' ' ' ARG . 28.9 tp -90.85 124.2 34.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.565 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.0 t -127.24 138.4 54.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.165 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.624 HD12 ' N ' ' B' ' 171' ' ' LEU . 8.4 mp -77.9 103.04 7.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.702 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . 0.425 ' O ' ' OE1' ' B' ' 140' ' ' GLN . 57.7 ttt180 -60.65 94.44 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.528 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . 0.435 HD13 ' CD1' ' A' ' 43' ' ' PHE . 28.7 mt -61.91 130.38 45.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.649 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 71.2 mtt-85 -78.56 148.14 33.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.571 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . 153.48 -151.95 23.64 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . 0.507 ' N ' ' OH ' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.525 0.696 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 201' ' ' MET . . . . . 0.531 ' N ' ' O ' ' C' ' 217' ' ' VAL . 32.2 ttp . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 202' ' ' GLN . . . . . 0.522 ' OE1' ' N ' ' C' ' 202' ' ' GLN . 4.4 mp0 -76.08 144.7 40.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.435 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 14.9 pt -147.68 141.68 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.344 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -93.56 140.31 29.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.839 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 19.6 t -128.73 110.69 21.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.084 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 206' ' ' LYS . . . . . 0.486 ' NZ ' ' CB ' ' C' ' 206' ' ' LYS . 8.0 mtmp? -92.94 130.73 38.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.657 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 207' ' ' THR . . . . . . . . . . . . . 58.0 p -89.29 -158.46 0.51 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.435 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 208' ' ' LEU . . . . . 0.922 ' H ' HD22 ' C' ' 208' ' ' LEU . 0.6 OUTLIER -82.28 -33.63 29.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.3 179.882 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 209' ' ' THR . . . . . . . . . . . . . 9.4 p -82.3 -2.85 54.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.589 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 210' ' ' GLY . . . . . . . . . . . . . . . 91.02 19.84 41.45 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 211' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -79.89 116.81 20.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.329 . . . . 0.0 110.553 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 6.4 m -94.43 137.69 33.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.601 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 213' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -130.03 128.48 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.54 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 214' ' ' THR . . . . . . . . . . . . . 55.0 m -94.18 98.45 10.96 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.343 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 215' ' ' LEU . . . . . 0.465 ' N ' HD12 ' C' ' 215' ' ' LEU . 11.0 mp -100.08 136.39 40.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.906 0.384 . . . . 0.0 110.819 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 216' ' ' GLU . . . . . 0.451 ' CD ' HE22 ' C' ' 202' ' ' GLN . 38.0 tt0 -91.78 121.25 33.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.103 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 217' ' ' VAL . . . . . 0.531 ' O ' ' N ' ' C' ' 201' ' ' MET . 34.0 m -145.01 -162.82 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.926 0.393 . . . . 0.0 110.904 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 218' ' ' GLU . . . . . 0.521 ' N ' ' OD2' ' C' ' 221' ' ' ASP . 5.5 mt-10 -140.06 171.16 8.26 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.725 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 219' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -73.44 -32.27 8.15 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 122.303 2.002 . . . . 0.0 112.031 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.64 1.13 35.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.446 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 221' ' ' ASP . . . . . 0.521 ' OD2' ' N ' ' C' ' 218' ' ' GLU . 30.5 m-20 -74.57 138.8 43.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.56 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 222' ' ' THR . . . . . 0.528 ' OG1' ' ND2' ' C' ' 225' ' ' ASN . 11.9 p -87.02 139.7 30.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.838 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 24.8 mm -46.8 -37.92 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.296 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -58.49 -45.28 89.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.357 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 225' ' ' ASN . . . . . 0.528 ' ND2' ' OG1' ' C' ' 222' ' ' THR . 55.6 m-80 -61.07 -38.84 87.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.073 179.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 39.7 t -62.28 -44.79 99.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.098 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 227' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -57.63 -38.94 75.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.224 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.37 99.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.208 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -60.42 -47.44 86.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.238 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 60.8 mt -61.73 -29.58 46.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.336 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 231' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -67.64 -39.3 84.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.058 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -69.49 -25.42 64.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.358 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm -81.68 -60.41 2.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.553 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 234' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -88.48 -103.04 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.6 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 235' ' ' GLY . . . . . . . . . . . . . . . 178.03 13.63 0.02 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 236' ' ' ILE . . . . . 0.513 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 48.8 mt -83.23 123.2 77.44 Favored Pre-proline 0 C--N 1.33 -0.266 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -58.14 146.65 87.28 Favored 'Trans proline' 0 C--N 1.313 -1.294 0 C-N-CA 121.536 1.49 . . . . 0.0 111.632 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 238' ' ' PRO . . . . . 0.499 ' C ' ' H ' ' C' ' 240' ' ' GLN . 2.7 Cg_endo -51.83 -45.33 39.11 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.3 2.0 . . . . 0.0 111.962 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 239' ' ' ASP . . . . . 0.501 ' N ' ' OD1' ' C' ' 239' ' ' ASP . 0.7 OUTLIER -69.12 13.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.754 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 240' ' ' GLN . . . . . 0.499 ' H ' ' C ' ' C' ' 238' ' ' PRO . 62.2 mt-30 -141.34 33.08 1.69 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.629 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 241' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 65.0 mt-30 -134.6 89.94 2.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.868 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 242' ' ' ARG . . . . . 0.513 ' NH2' ' OE1' ' C' ' 249' ' ' GLN . 33.5 ttm-85 -90.13 129.97 36.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.133 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 10.9 mt -109.66 126.86 54.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.048 0.451 . . . . 0.0 110.985 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.5 mt -122.51 127.0 74.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.085 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 245' ' ' PHE . . . . . 0.528 ' CE1' ' OD2' ' A' ' 25' ' ' ASP . 51.9 t80 -116.15 75.21 0.94 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.902 0.382 . . . . 0.0 111.095 -179.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 54.25 88.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.06 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 247' ' ' GLY . . . . . . . . . . . . . . . 55.65 39.37 75.38 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -150.82 90.76 1.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.491 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 249' ' ' GLN . . . . . 0.513 ' OE1' ' NH2' ' C' ' 242' ' ' ARG . 0.9 OUTLIER -74.47 96.16 2.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.965 179.667 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 250' ' ' LEU . . . . . 0.413 ' O ' ' OE1' ' C' ' 249' ' ' GLN . 9.4 mt -56.78 135.47 55.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.777 -179.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -91.34 161.27 15.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.334 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -24.06 51.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.756 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -100.09 41.21 2.22 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 254' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -139.63 176.99 8.26 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 42.3 p -119.62 159.83 23.65 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.872 0.368 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.55 -25.16 65.95 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.694 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 257' ' ' SER . . . . . 0.493 ' C ' ' H ' ' C' ' 259' ' ' TYR . 82.0 p -74.49 -30.6 61.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.768 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -71.5 15.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.693 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 259' ' ' TYR . . . . . 0.493 ' H ' ' C ' ' C' ' 257' ' ' SER . 69.4 m-85 -140.63 6.36 2.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.549 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 260' ' ' ASN . . . . . . . . . . . . . 1.9 m120 60.53 26.84 16.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.645 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 84.9 mt -78.31 100.23 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.516 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -83.08 -157.28 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.65 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -82.53 161.86 22.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.671 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 51.29 29.06 4.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.583 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 34.5 m -88.97 135.66 33.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.61 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 4.3 m -80.43 150.71 29.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.496 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 7.5 mt -140.94 122.97 15.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.531 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 268' ' ' HIS . . . . . 0.637 ' ND1' ' N ' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -81.6 104.3 11.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.174 179.803 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 47.6 tp -87.66 133.63 33.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.959 0.409 . . . . 0.0 110.879 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 270' ' ' VAL . . . . . . . . . . . . . 2.5 t -130.62 154.95 41.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.306 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 271' ' ' LEU . . . . . . . . . . . . . 6.2 mt -91.28 110.26 21.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.735 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -84.6 115.67 22.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.345 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 273' ' ' LEU . . . . . 0.751 HD11 ' NH1' ' D' ' 340' ' ' ARG . 0.3 OUTLIER -99.79 -175.76 3.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.45 -179.825 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 -153.14 114.26 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.453 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . -69.36 102.65 0.97 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 32.9 t . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.536 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 309' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' D' ' 310' ' ' THR . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 310' ' ' THR . . . . . 0.479 HG23 ' NZ ' ' D' ' 312' ' ' LYS . 11.4 m 48.36 99.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.827 0.346 . . . . 0.0 110.575 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 311' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -149.76 93.03 1.98 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.449 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 312' ' ' LYS . . . . . 0.533 ' N ' ' CD ' ' D' ' 312' ' ' LYS . 9.9 mptt -91.15 -177.51 4.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.421 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 313' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' D' ' 313' ' ' TYR . 16.9 m-85 -91.3 134.4 34.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.491 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 314' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -78.79 92.77 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.566 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 315' ' ' LEU . . . . . 0.439 HD13 ' OE1' ' D' ' 342' ' ' GLU . 13.5 mt -98.7 45.93 1.0 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.384 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 13.0 t -73.26 -20.54 60.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -156.55 101.74 2.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.84 0.352 . . . . 0.0 110.703 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -129.53 163.82 25.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.21 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -100.32 160.62 14.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.789 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 320' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' D' ' 320' ' ' TYR . 16.6 t80 -60.25 -50.03 75.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.588 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -63.62 -40.9 98.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -58.52 -50.75 72.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.67 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.55 HD21 ' CD ' ' D' ' 342' ' ' GLU . 14.7 mt -60.87 -55.63 30.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.39 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 324' ' ' ARG . . . . . 0.416 ' O ' ' ND2' ' D' ' 328' ' ' ASN . 12.2 ttt180 -57.14 -53.35 59.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.587 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 325' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' D' ' 329' ' ' THR . 28.7 t70 -52.51 -51.49 59.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.397 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 326' ' ' THR . . . . . 0.488 ' O ' ' N ' ' D' ' 330' ' ' SER . 56.5 m -54.06 -42.25 69.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.392 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 327' ' ' ILE . . . . . 0.571 ' CD1' ' NH2' ' D' ' 340' ' ' ARG . 86.4 mt -75.06 -23.06 17.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.502 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 328' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' D' ' 324' ' ' ARG . 2.0 m-80 -100.34 0.49 40.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.665 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.485 ' N ' ' O ' ' D' ' 325' ' ' ASP . 73.2 p -132.76 -19.12 2.35 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.167 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 330' ' ' SER . . . . . 0.488 ' N ' ' O ' ' D' ' 326' ' ' THR . 1.5 t -106.04 172.79 6.61 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.124 0.488 . . . . 0.0 111.191 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 331' ' ' CYS . . . . . . . . . . . . . 4.9 m -144.7 28.84 1.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.518 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 332' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' D' ' 333' ' ' ILE . 11.7 m-20 -92.76 95.29 9.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.398 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . 0.469 ' CD1' ' NZ ' ' C' ' 206' ' ' LYS . 2.2 mt -38.52 -42.12 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.701 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -55.21 -57.11 13.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.122 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 335' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.19 -50.74 71.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.08 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 336' ' ' LEU . . . . . . . . . . . . . 57.3 mt -50.51 -46.14 57.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.457 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -66.01 -49.45 67.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.439 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -58.53 -42.79 88.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.161 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 339' ' ' CYS . . . . . . . . . . . . . 90.9 m -61.1 -53.88 51.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.112 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 340' ' ' ARG . . . . . 0.751 ' NH1' HD11 ' C' ' 273' ' ' LEU . 0.0 OUTLIER -50.98 -41.39 59.43 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.402 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -59.65 -51.59 69.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.486 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 342' ' ' GLU . . . . . 0.55 ' CD ' HD21 ' D' ' 323' ' ' LEU . 2.8 pt-20 -71.38 -33.5 69.58 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.709 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 343' ' ' PHE . . . . . 0.538 ' CD1' HD12 ' C' ' 273' ' ' LEU . 1.6 t80 -67.2 -43.7 81.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.572 -179.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 344' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -69.63 -50.53 43.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.349 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 50.8 mtp85 -53.77 -51.3 63.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.411 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 71.1 mtt-85 -50.09 -37.96 36.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.593 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 13.5 mt -71.93 -62.88 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.37 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -50.78 -56.49 11.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.489 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 349' ' ' VAL . . . . . . . . . . . . . 90.8 t -89.8 123.08 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.473 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 350' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -73.21 80.04 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.466 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 351' ' ' HIS . . . . . . . . . . . . . 1.1 t60 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.612 179.965 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.448 ' O ' HG23 ' A' ' 10' ' ' THR . 7.2 t -173.02 126.08 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.608 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -93.08 -165.87 1.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -96.84 -165.62 1.29 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.522 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -131.17 127.98 39.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.56 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -77.52 93.04 4.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.54 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.7 mt -90.39 42.59 1.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.614 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.0 t -87.55 -27.83 22.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.593 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -96.93 29.09 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.72 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -105.66 169.52 8.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.564 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -118.05 168.69 10.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.672 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -60.79 -47.2 87.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.539 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.14 -48.93 79.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.816 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -55.47 -57.89 10.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.63 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.533 HD13 ' CD ' ' A' ' 42' ' ' GLU . 30.1 mt -52.49 -59.53 4.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.607 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.532 HH12 ' N ' ' B' ' 173' ' ' LEU . 15.3 tpt180 -53.04 -42.87 66.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.569 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 29' ' ' THR . 11.0 m-20 -62.62 -48.18 80.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.423 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.513 ' O ' ' N ' ' A' ' 30' ' ' SER . 87.2 m -54.08 -46.66 72.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.6 mt -71.46 -30.42 39.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.715 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.699 HD21 HH12 ' B' ' 142' ' ' ARG . 0.9 OUTLIER -83.5 -23.75 32.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.294 -179.402 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 25' ' ' ASP . 32.6 p -107.64 -43.6 4.46 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.76 0.314 . . . . 0.0 111.052 -179.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.8 OUTLIER -79.3 172.85 13.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.074 0.464 . . . . 0.0 111.166 -179.5 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.434 ' CB ' ' H ' ' B' ' 147' ' ' GLY . 8.2 p -144.35 13.94 1.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.074 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 33' ' ' ILE . 11.4 m-20 -74.08 95.01 2.48 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.536 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.708 ' HA ' HD12 ' A' ' 36' ' ' LEU . 2.4 mt -38.42 -41.44 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.78 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -56.42 -58.75 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.084 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.9 mt -59.04 -42.92 91.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.043 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 33' ' ' ILE . 91.0 mt -50.57 -44.1 56.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.95 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.7 -48.63 68.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.064 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.88 -47.06 83.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.274 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.484 ' O ' ' OE2' ' A' ' 42' ' ' GLU . 90.8 m -62.79 -44.18 96.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.143 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.745 HH12 HD12 ' B' ' 171' ' ' LEU . 0.7 OUTLIER -63.26 -28.18 69.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.396 179.711 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -73.58 -61.42 1.84 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.217 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.533 ' CD ' HD13 ' A' ' 23' ' ' LEU . 2.5 pp20? -51.97 -36.31 49.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.989 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.496 ' N ' ' CD ' ' A' ' 42' ' ' GLU . 0.9 OUTLIER -66.46 -52.86 41.82 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.238 179.645 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -60.35 -44.47 95.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.962 0.41 . . . . 0.0 110.153 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 86.8 mtt-85 -55.3 -56.43 20.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.281 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 71.8 mtt-85 -48.92 -39.0 24.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.563 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -79.86 -20.7 45.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.287 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -80.55 -32.24 36.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.49 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.3 p -103.69 144.43 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.494 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.521 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 45.5 t80 59.78 30.08 19.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.512 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 18.0 t60 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.543 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.529 ' N ' ' O ' ' B' ' 117' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -94.7 114.36 26.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.66 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 21.7 pt -102.26 152.24 5.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.622 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -104.38 128.77 52.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.651 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 99.3 t -116.1 114.41 46.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.358 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . 0.506 ' NZ ' HG21 ' B' ' 166' ' ' THR . 26.4 mttp -84.95 128.02 34.44 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.567 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 24.2 p -76.77 -175.42 3.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.541 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.662 HD12 ' NE ' ' A' ' 40' ' ' ARG . 3.0 mm? -74.3 -29.94 61.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.508 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 6.9 p -80.61 -42.61 21.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.485 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 139.57 6.7 1.12 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -80.47 119.08 22.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.777 0.322 . . . . 0.0 110.638 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 6.5 m -85.51 146.39 26.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.44 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 1.9 mt -132.35 125.47 53.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.592 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 9.8 m -89.76 112.74 24.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.192 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 15.6 mt -116.48 128.8 55.78 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.988 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -78.87 121.19 24.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.024 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' B' ' 101' ' ' MET . 12.1 m -146.74 -177.01 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.997 0.427 . . . . 0.0 110.875 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.608 ' H ' ' CG ' ' B' ' 121' ' ' ASP . 75.1 mt-10 -142.86 151.21 55.88 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.915 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.1 -27.8 4.78 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.61 2.207 . . . . 0.0 112.478 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.4 p -88.27 12.22 14.52 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.195 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . 0.608 ' CG ' ' H ' ' B' ' 118' ' ' GLU . 8.1 m-20 -86.72 134.32 33.6 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.407 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . 0.402 ' O ' ' N ' ' B' ' 125' ' ' ASN . 13.1 p -83.9 135.0 34.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.957 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 27.0 mm -43.44 -49.03 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.259 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -51.35 -38.51 53.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.142 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' B' ' 122' ' ' THR . 10.2 t-20 -63.89 -38.4 90.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.015 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 16.2 t -64.94 -45.54 94.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.045 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -56.54 -36.53 69.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.21 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.35 -46.4 76.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.324 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -56.05 -49.87 72.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.456 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' B' ' 133' ' ' LYS . 55.3 mt -58.48 -53.54 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.349 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . 0.431 ' O ' ' OE1' ' B' ' 131' ' ' GLN . 0.9 OUTLIER -46.97 -31.54 3.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.266 179.791 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -75.8 -27.79 58.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.473 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' B' ' 130' ' ' ILE . 46.7 mmtt -80.57 -59.75 2.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.557 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -86.2 -99.72 0.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.525 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . 0.438 ' H ' ' H ' ' B' ' 136' ' ' ILE . . . 178.75 9.46 0.02 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.438 ' H ' ' H ' ' B' ' 135' ' ' GLY . 39.6 mt -79.89 118.82 74.35 Favored Pre-proline 0 CA--C 1.533 0.322 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.49 151.28 76.28 Favored 'Trans proline' 0 N--CA 1.489 1.26 0 C-N-CA 121.566 1.511 . . . . 0.0 111.694 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.525 ' C ' ' H ' ' B' ' 140' ' ' GLN . 2.6 Cg_endo -48.36 -47.24 20.62 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 C-N-CA 122.59 2.194 . . . . 0.0 112.02 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.7 14.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.973 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.525 ' H ' ' C ' ' B' ' 138' ' ' PRO . 31.8 mt-30 -141.41 28.69 1.82 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.578 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.467 ' OE1' ' CG2' ' B' ' 130' ' ' ILE . 48.4 mt-30 -134.43 85.78 2.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.728 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.699 HH12 HD21 ' A' ' 28' ' ' ASN . 2.8 ttm180 -89.99 115.57 27.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.087 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 15.2 mt -92.03 130.14 37.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.613 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 1.5 mt -129.07 143.17 42.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.429 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . 0.446 ' O ' ' HB3' ' B' ' 146' ' ' ALA . 85.2 t80 -141.12 92.19 2.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.697 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' B' ' 145' ' ' PHE . . . 66.8 79.83 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . 0.434 ' H ' ' CB ' ' A' ' 31' ' ' CYS . . . 39.13 44.2 2.03 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -149.75 112.26 4.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.367 . . . . 0.0 110.617 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -79.44 128.06 32.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.264 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 11.8 mt -81.5 115.48 20.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.694 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -55.88 158.64 3.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.566 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.43 -17.69 33.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.747 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -107.17 38.81 3.14 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 24.3 mmt-85 -139.56 172.39 12.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.642 0.258 . . . . 0.0 110.335 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 14.9 p -110.58 163.58 13.58 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 76.1 mt -59.55 -41.0 89.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.566 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . 0.497 ' C ' ' H ' ' B' ' 159' ' ' TYR . 31.4 p -53.57 -32.83 52.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.834 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -71.79 16.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.704 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . 0.497 ' H ' ' C ' ' B' ' 157' ' ' SER . 72.4 m-85 -140.66 3.9 1.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.604 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . 0.528 ' O ' ' NE2' ' B' ' 162' ' ' GLN . 3.6 m120 60.68 27.5 17.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.714 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 86.6 mt -79.4 104.93 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.495 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . 0.566 ' CD ' ' H ' ' B' ' 162' ' ' GLN . 9.1 mp0 -82.45 -161.08 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.723 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 11.4 ptt-85 -82.72 161.71 22.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.746 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 52.76 21.41 1.91 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.54 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 37.3 m -80.12 139.24 36.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.659 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 166' ' ' THR . . . . . 0.506 HG21 ' NZ ' ' B' ' 106' ' ' LYS . 8.5 m -85.7 146.67 26.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.421 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.1 mt -135.37 146.4 48.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 168' ' ' HIS . . . . . 0.619 ' ND1' ' N ' ' B' ' 168' ' ' HIS . 0.2 OUTLIER -100.52 107.46 19.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.396 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 37.0 tp -84.67 144.07 28.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.427 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . 0.511 HG22 HD13 ' A' ' 36' ' ' LEU . 2.4 t -143.81 167.05 13.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.592 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.745 HD12 HH12 ' A' ' 40' ' ' ARG . 15.9 mt -103.82 101.23 11.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.244 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -60.65 106.99 0.62 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.488 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . 0.532 ' N ' HH12 ' A' ' 24' ' ' ARG . 13.2 mt -82.38 159.1 23.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.553 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -60.42 130.7 47.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.535 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . -177.11 36.11 0.09 OUTLIER Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.646 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 201' ' ' MET . . . . . 0.441 ' SD ' ' C ' ' C' ' 218' ' ' GLU . 1.6 ptm . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 202' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -72.36 107.24 4.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.609 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 203' ' ' ILE . . . . . . . . . . . . . 27.3 pt -104.27 144.33 14.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.421 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 204' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -97.99 129.96 44.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.549 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 205' ' ' VAL . . . . . . . . . . . . . 92.8 t -113.89 110.51 32.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.233 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -82.58 149.23 27.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.729 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 207' ' ' THR . . . . . 0.401 ' O ' ' N ' ' C' ' 210' ' ' GLY . 42.0 p -127.17 163.96 22.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.357 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 208' ' ' LEU . . . . . 1.011 ' H ' HD22 ' C' ' 208' ' ' LEU . 0.4 OUTLIER -46.08 -57.81 4.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.503 -179.867 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 209' ' ' THR . . . . . 0.419 HG23 ' H ' ' C' ' 209' ' ' THR . 7.6 p -56.37 -4.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 210' ' ' GLY . . . . . 0.5 ' H ' ' C ' ' C' ' 208' ' ' LEU . . . 86.81 -4.42 86.3 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 211' ' ' LYS . . . . . 0.505 ' NZ ' ' OE2' ' C' ' 234' ' ' GLU . 76.8 tttt -63.63 128.42 35.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 110.491 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 212' ' ' THR . . . . . . . . . . . . . 32.0 m -105.42 140.93 37.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.502 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 213' ' ' ILE . . . . . 0.41 HD13 HG21 ' C' ' 213' ' ' ILE . 4.7 mt -125.06 130.65 73.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.493 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 214' ' ' THR . . . . . 0.49 ' C ' HD22 ' C' ' 215' ' ' LEU . 4.9 m -98.48 105.88 18.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.545 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 215' ' ' LEU . . . . . 0.817 HD22 ' N ' ' C' ' 215' ' ' LEU . 2.3 mm? -99.27 131.53 45.23 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.665 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -88.49 76.0 8.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.067 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 217' ' ' VAL . . . . . 0.444 HG21 ' CD1' ' C' ' 256' ' ' LEU . 9.0 m -100.35 -160.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.11 0.481 . . . . 0.0 111.102 -179.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 218' ' ' GLU . . . . . 0.518 ' N ' ' OD2' ' C' ' 221' ' ' ASP . 2.4 mt-10 -148.16 170.27 7.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.613 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 219' ' ' PRO . . . . . 0.416 ' N ' ' SD ' ' C' ' 201' ' ' MET . 3.4 Cg_exo -72.73 -13.01 26.94 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 C-N-CA 122.31 2.006 . . . . 0.0 112.375 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 220' ' ' SER . . . . . . . . . . . . . 1.1 p -103.17 7.62 38.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.328 . . . . 0.0 110.583 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 221' ' ' ASP . . . . . 0.518 ' OD2' ' N ' ' C' ' 218' ' ' GLU . 6.4 m-20 -83.18 139.12 33.34 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.527 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 222' ' ' THR . . . . . 0.426 ' OG1' ' OD1' ' C' ' 225' ' ' ASN . 12.8 p -85.15 139.31 31.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.882 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 223' ' ' ILE . . . . . . . . . . . . . 37.1 mm -46.2 -39.92 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.474 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 224' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -57.36 -45.22 84.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.429 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 225' ' ' ASN . . . . . 0.426 ' OD1' ' OG1' ' C' ' 222' ' ' THR . 2.8 m120 -60.61 -40.03 90.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.098 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 226' ' ' VAL . . . . . . . . . . . . . 22.9 t -61.65 -43.75 97.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.026 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 227' ' ' LYS . . . . . 0.441 ' O ' ' OE1' ' C' ' 241' ' ' GLN . 18.2 mttp -57.02 -40.87 77.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.072 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 228' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.52 97.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.305 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 229' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -61.17 -51.09 70.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.46 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 230' ' ' ILE . . . . . . . . . . . . . 57.9 mt -57.54 -45.89 86.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.41 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 231' ' ' GLN . . . . . 0.494 ' N ' HE22 ' C' ' 241' ' ' GLN . 1.0 OUTLIER -56.75 -29.55 62.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.414 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 232' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -72.57 -39.99 66.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.337 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 233' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -70.65 -62.02 1.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.266 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 234' ' ' GLU . . . . . 0.505 ' OE2' ' NZ ' ' C' ' 211' ' ' LYS . 28.8 mm-40 -80.1 -103.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.51 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 235' ' ' GLY . . . . . 0.423 ' H ' ' H ' ' C' ' 236' ' ' ILE . . . 178.73 3.08 0.02 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 236' ' ' ILE . . . . . 0.524 ' O ' ' NE2' ' C' ' 241' ' ' GLN . 52.8 mt -74.27 123.6 89.3 Favored Pre-proline 0 C--N 1.329 -0.292 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 237' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -58.5 152.56 54.09 Favored 'Trans proline' 0 C--N 1.314 -1.26 0 C-N-CA 121.594 1.529 . . . . 0.0 111.522 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 238' ' ' PRO . . . . . 0.497 ' O ' ' N ' ' C' ' 241' ' ' GLN . 2.6 Cg_endo -48.57 -68.07 0.1 OUTLIER 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 122.458 2.105 . . . . 0.0 111.968 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 239' ' ' ASP . . . . . 0.449 ' N ' ' OD1' ' C' ' 239' ' ' ASP . 3.4 m-20 -42.5 -23.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 240' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' C' ' 238' ' ' PRO . 23.9 mt-30 -101.52 32.49 3.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.852 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 241' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' C' ' 236' ' ' ILE . 87.5 mt-30 -134.6 82.99 2.0 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.778 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 242' ' ' ARG . . . . . 0.686 ' HE ' ' NE2' ' C' ' 249' ' ' GLN . 27.5 ttt85 -89.92 120.17 30.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.23 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 243' ' ' LEU . . . . . . . . . . . . . 16.0 mt -97.46 129.18 44.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.089 0.471 . . . . 0.0 111.063 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 1.5 mt -127.38 119.82 53.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.19 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 245' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -100.75 78.48 1.97 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.886 0.374 . . . . 0.0 110.966 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 246' ' ' ALA . . . . . . . . . . . . . . . 54.23 79.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 247' ' ' GLY . . . . . 0.662 ' H ' ' CB ' ' D' ' 331' ' ' CYS . . . 59.99 42.08 98.19 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 248' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -150.86 92.2 1.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.786 0.327 . . . . 0.0 110.641 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 249' ' ' GLN . . . . . 0.686 ' NE2' ' HE ' ' C' ' 242' ' ' ARG . 13.8 tt0 -68.97 118.26 11.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.107 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 250' ' ' LEU . . . . . . . . . . . . . 12.2 mt -79.59 138.32 37.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.913 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 251' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -81.87 158.98 23.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.391 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 252' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.05 -4.92 59.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.726 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 253' ' ' GLY . . . . . . . . . . . . . . . -117.67 35.49 4.07 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 254' ' ' ARG . . . . . 0.425 ' HE ' ' HB3' ' C' ' 258' ' ' ASP . 17.7 mmm-85 -139.35 171.12 14.74 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 255' ' ' THR . . . . . . . . . . . . . 16.2 p -108.84 163.7 13.04 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.699 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 256' ' ' LEU . . . . . 0.444 ' CD1' HG21 ' C' ' 217' ' ' VAL . 83.1 mt -62.24 -33.43 74.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.806 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 257' ' ' SER . . . . . . . . . . . . . 5.4 p -61.59 -42.66 99.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.766 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 258' ' ' ASP . . . . . 0.425 ' HB3' ' HE ' ' C' ' 254' ' ' ARG . 1.2 m-20 -49.92 -41.28 45.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.625 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 259' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -85.12 1.12 49.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.72 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 260' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' C' ' 260' ' ' ASN . 4.8 t30 61.27 26.39 16.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 261' ' ' ILE . . . . . . . . . . . . . 77.9 mt -69.69 109.3 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.292 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 262' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -79.24 -170.67 2.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 263' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -81.06 161.15 24.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.716 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 264' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 56.42 27.94 12.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.742 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 265' ' ' SER . . . . . . . . . . . . . 36.8 m -83.75 132.69 34.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.466 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 266' ' ' THR . . . . . . . . . . . . . 10.1 m -90.63 100.37 13.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.553 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 267' ' ' LEU . . . . . . . . . . . . . 5.1 mt -85.88 164.96 17.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.462 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 268' ' ' HIS . . . . . 0.646 ' ND1' ' N ' ' C' ' 268' ' ' HIS . 0.2 OUTLIER -114.85 101.1 8.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.042 179.74 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 269' ' ' LEU . . . . . . . . . . . . . 42.2 tp -81.15 143.17 32.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.723 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 270' ' ' VAL . . . . . 0.47 HG22 HD13 ' D' ' 336' ' ' LEU . 1.9 t -143.09 156.82 17.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.312 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 271' ' ' LEU . . . . . 0.66 ' N ' HD12 ' C' ' 271' ' ' LEU . 7.3 mp -98.62 98.74 9.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.372 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 272' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -52.24 101.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.507 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 273' ' ' LEU . . . . . 0.501 HD13 ' CG ' ' D' ' 343' ' ' PHE . 21.7 mt -75.38 143.76 42.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.527 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 274' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -175.98 174.11 2.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.553 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 275' ' ' GLY . . . . . . . . . . . . . . . 168.88 -24.61 0.11 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 276' ' ' CYS . . . . . . . . . . . . . 21.0 t . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.56 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 309' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.562 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 310' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.22 99.08 2.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.819 0.343 . . . . 0.0 110.539 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 311' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -143.21 123.36 13.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.474 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 312' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -77.45 171.11 15.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.595 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 313' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' D' ' 313' ' ' TYR . 10.6 m-85 -91.52 124.43 35.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.522 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 314' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' D' ' 314' ' ' ASP . 1.8 m-20 -79.35 92.74 5.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.561 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 315' ' ' LEU . . . . . 0.548 HD13 ' OE1' ' D' ' 342' ' ' GLU . 13.6 mt -107.55 46.19 0.96 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.282 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 316' ' ' SER . . . . . . . . . . . . . 7.4 t -64.83 -29.95 70.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.815 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 317' ' ' LYS . . . . . . . . . . . . . 25.4 pttt -158.89 106.24 1.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.758 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 318' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -121.94 -175.07 3.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.064 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -123.07 163.5 20.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.654 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 320' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' D' ' 320' ' ' TYR . 10.8 t80 -63.3 -49.77 72.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.547 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 321' ' ' ALA . . . . . . . . . . . . . . . -62.06 -35.93 80.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.697 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 322' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -67.85 -55.21 13.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.675 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.625 HD21 ' CD ' ' D' ' 342' ' ' GLU . 15.2 mt -58.27 -57.41 13.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.594 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 324' ' ' ARG . . . . . 0.5 ' O ' ' ND2' ' D' ' 328' ' ' ASN . 7.9 tpt180 -53.11 -47.96 68.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.614 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 325' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' D' ' 329' ' ' THR . 5.3 t70 -60.1 -48.46 81.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.67 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 326' ' ' THR . . . . . 0.557 ' O ' ' N ' ' D' ' 330' ' ' SER . 12.2 m -52.56 -48.5 66.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.7 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 327' ' ' ILE . . . . . 0.437 HG23 HD22 ' D' ' 336' ' ' LEU . 90.6 mt -68.05 -31.86 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.677 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 328' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' D' ' 324' ' ' ARG . 1.5 m-80 -88.38 -12.65 42.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.161 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.538 ' N ' ' O ' ' D' ' 325' ' ' ASP . 59.1 p -115.96 -16.07 11.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.862 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 330' ' ' SER . . . . . 0.557 ' N ' ' O ' ' D' ' 326' ' ' THR . 3.3 t -111.04 -179.26 3.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.008 0.432 . . . . 0.0 110.889 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 331' ' ' CYS . . . . . 0.662 ' CB ' ' H ' ' C' ' 247' ' ' GLY . 10.0 p -149.15 8.55 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.101 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 332' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' D' ' 333' ' ' ILE . 6.8 m-20 -70.06 93.84 0.83 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.426 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . 0.675 ' HA ' HD12 ' D' ' 336' ' ' LEU . 2.3 mt -38.71 -41.38 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.686 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 334' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -55.71 -54.5 43.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.169 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 335' ' ' LEU . . . . . 0.446 ' O ' ' SG ' ' D' ' 339' ' ' CYS . 9.2 mt -62.33 -38.31 88.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.135 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 336' ' ' LEU . . . . . 0.675 HD12 ' HA ' ' D' ' 333' ' ' ILE . 90.1 mt -56.5 -44.05 80.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.199 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 337' ' ' ALA . . . . . . . . . . . . . . . -68.45 -49.23 61.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.494 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 338' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.31 95.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.393 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 339' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' D' ' 335' ' ' LEU . 76.5 m -61.97 -53.4 56.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.254 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 340' ' ' ARG . . . . . 0.564 HH21 HD22 ' C' ' 271' ' ' LEU . 16.4 mtp-105 -52.94 -39.07 62.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.24 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 341' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -62.2 -62.74 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.604 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 342' ' ' GLU . . . . . 0.625 ' CD ' HD21 ' D' ' 323' ' ' LEU . 3.9 pt-20 -59.05 -34.65 72.17 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.545 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 343' ' ' PHE . . . . . 0.501 ' CG ' HD13 ' C' ' 273' ' ' LEU . 14.9 t80 -59.64 -49.04 79.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.644 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 344' ' ' HIS . . . . . 0.419 ' O ' ' N ' ' D' ' 347' ' ' LEU . 71.1 m-70 -73.18 -53.53 10.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.532 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 345' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -45.88 -44.02 14.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.473 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 346' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -58.2 -27.95 64.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.451 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' D' ' 344' ' ' HIS . 12.6 mt -91.55 -47.39 7.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.509 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 348' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -63.06 -58.33 7.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.535 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 349' ' ' VAL . . . . . 0.496 ' C ' ' H ' ' D' ' 351' ' ' HIS . 63.9 t -67.46 122.65 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.581 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 350' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -72.22 37.61 0.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.561 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 351' ' ' HIS . . . . . 0.496 ' H ' ' C ' ' D' ' 349' ' ' VAL . 84.8 t60 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.558 179.927 . . . . . . . . 1 1 . 1 stop_ save_